{ "_meta": { "date": "2026-05-17", "phase": "2-unified (LOTUS + NPAtlas + KNApSAcK)", "deduped_by_inchikey": true, "total_unique_compounds": 9778, "by_source_db_counts": { "LOTUS": 6798, "KNApSAcK": 20, "NPAtlas": 4535 }, "reachable_databases": [ "LOTUS", "NPAtlas", "KNApSAcK" ], "unreachable_databases": [ "NPASS", "TCMSP", "HIT", "SwissTargetPrediction" ] }, "compounds": { "NATIOTXBZQOYMI-XNTDXEJSSA-N": { "inchikey": "NATIOTXBZQOYMI-XNTDXEJSSA-N", "inchikey2D": "NATIOTXBZQOYMI", "names": [ "4-[(2e)-2-(phenylmethylidene)hydrazin-1-yl]benzaldehyde" ], "molecular_formula": "C14H12N2O", "smiles": "O=Cc1ccc(N/N=C/c2ccccc2)cc1", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0013529" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "NATIOTXBZQOYMI-UHFFFAOYSA-N": { "inchikey": "NATIOTXBZQOYMI-UHFFFAOYSA-N", "inchikey2D": "NATIOTXBZQOYMI", "names": [ "4-[2-(phenylmethylidene)hydrazin-1-yl]benzaldehyde" ], "molecular_formula": "C14H12N2O", "smiles": "O=Cc1ccc(NN=Cc2ccccc2)cc1", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0030208" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "ISWSIDIOOBJBQZ-UHFFFAOYSA-N": { "inchikey": "ISWSIDIOOBJBQZ-UHFFFAOYSA-N", "inchikey2D": "ISWSIDIOOBJBQZ", "names": [ "phenol" ], "molecular_formula": "C6H6O", "smiles": "Oc1ccccc1", "species": [ "[query-hint] Agaricus", "[query-hint] Phallus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0092642" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Phallus==Phallus" ] }, "YLWMWIDVEMNSMX-UHFFFAOYSA-N": { "inchikey": "YLWMWIDVEMNSMX-UHFFFAOYSA-N", "inchikey2D": "YLWMWIDVEMNSMX", "names": [ "4-{2-[(4-hydroxyphenyl)methylidene]hydrazin-1-yl}benzaldehyde" ], "molecular_formula": "C14H12N2O2", "smiles": "O=Cc1ccc(NN=Cc2ccc(O)cc2)cc1", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0020212" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "YLWMWIDVEMNSMX-OQLLNIDSSA-N": { "inchikey": "YLWMWIDVEMNSMX-OQLLNIDSSA-N", "inchikey2D": "YLWMWIDVEMNSMX", "names": [ "4-[(2e)-2-[(4-hydroxyphenyl)methylidene]hydrazin-1-yl]benzaldehyde" ], "molecular_formula": "C14H12N2O2", "smiles": "O=Cc1ccc(N/N=C/c2ccc(O)cc2)cc1", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0271847" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "ITPVQLRLLYSOCJ-UHFFFAOYSA-N": { "inchikey": "ITPVQLRLLYSOCJ-UHFFFAOYSA-N", "inchikey2D": "ITPVQLRLLYSOCJ", "names": [ "(2-aminoethyl)(nitro)amine" ], "molecular_formula": "C2H7N3O2", "smiles": "NCCN[N+](=O)[O-]", "species": [ "[query-hint] Agaricus", "[query-hint] Russula" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0199836" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Russula==Russula" ] }, "HUMNYLRZRPPJDN-UHFFFAOYSA-N": { "inchikey": "HUMNYLRZRPPJDN-UHFFFAOYSA-N", "inchikey2D": "HUMNYLRZRPPJDN", "names": [ "benzaldehyde" ], "molecular_formula": "C7H6O", "smiles": "O=Cc1ccccc1", "species": [ "[query-hint] Agaricus", "[query-hint] Phallus", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0094193" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Phallus==Phallus", "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus ostreatus==Pleurotus", "INCLUDE:Polyporus==Polyporus" ] }, "DNVPQKQSNYMLRS-UHFFFAOYSA-N": { "inchikey": "DNVPQKQSNYMLRS-UHFFFAOYSA-N", "inchikey2D": "DNVPQKQSNYMLRS", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C28H44O", "smiles": "CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C", "species": [ "[query-hint] Agaricus", "[query-hint] Aspergillus niger", "[query-hint] Aspergillus terreus", "[query-hint] Cordyceps sinensis", "[query-hint] Fomitopsis", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Grifola", "[query-hint] Hypholoma", "[query-hint] Lactarius", "[query-hint] Ophiocordyceps", "[query-hint] Phellinus", "[query-hint] Pleurotus", "[query-hint] Polyporus", "[query-hint] Russula", "[query-hint] Saccharomyces cerevisiae", "[query-hint] Trametes", "[query-hint] Trametes versicolor", "[query-hint] Wolfiporia", "[query-hint] Yarrowia lipolytica" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0029174" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Aspergillus niger==Aspergillus niger", "GREY:Aspergillus terreus", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "OYHQOLUKZRVURQ-HZJYTTRNSA-N": { "inchikey": "OYHQOLUKZRVURQ-HZJYTTRNSA-N", "inchikey2D": "OYHQOLUKZRVURQ", "names": [ "Linoleic acid", "linoleic" ], "molecular_formula": "C18H32O2", "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O", "species": [ "Ganoderma lucidum", "[query-hint] Agaricus", "[query-hint] Cordyceps", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus" ], "source_dbs": [ "KNApSAcK", "LOTUS" ], "external_ids": { "lotus_id": "LTS0013198", "knapsack_cid": "C00001224" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Agaricus==Agaricus", "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "HJLNKWYSKFDHDG-ZETCQYMHSA-N": { "inchikey": "HJLNKWYSKFDHDG-ZETCQYMHSA-N", "inchikey2D": "HJLNKWYSKFDHDG", "names": [ "(2s)-2-amino-4-[(3,4-dihydroxyphenyl)-c-hydroxycarbonimidoyl]butanoic acid" ], "molecular_formula": "C11H14N2O5", "smiles": "N[C@@H](CCC(O)=Nc1ccc(O)c(O)c1)C(=O)O", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0094820" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "WVDDGKGOMKODPV-UHFFFAOYSA-N": { "inchikey": "WVDDGKGOMKODPV-UHFFFAOYSA-N", "inchikey2D": "WVDDGKGOMKODPV", "names": [ "benzyl alcohol" ], "molecular_formula": "C7H8O", "smiles": "OCc1ccccc1", "species": [ "[query-hint] Agaricus", "[query-hint] Phallus", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0125638" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Phallus==Phallus", "INCLUDE:Polyporus==Polyporus" ] }, "JASZNDQUKJVDQJ-UHFFFAOYSA-N": { "inchikey": "JASZNDQUKJVDQJ-UHFFFAOYSA-N", "inchikey2D": "JASZNDQUKJVDQJ", "names": [ "3-hydroxy-4,5,5,6',10',12'-hexamethyl-6'-(3-oxobutyl)-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane]-2'(7'),3'-dien-5'-one" ], "molecular_formula": "C28H40O5", "smiles": "CC(=O)CCC1(C)C(=O)C=CC2=C1CCC1(C)C3CCC21OC1(OC(C)(C)C(C)C1O)C3C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0066146" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "XEKOWRVHYACXOJ-UHFFFAOYSA-N": { "inchikey": "XEKOWRVHYACXOJ-UHFFFAOYSA-N", "inchikey2D": "XEKOWRVHYACXOJ", "names": [ "ethyl acetate" ], "molecular_formula": "C4H8O2", "smiles": "CCOC(C)=O", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0196824" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "AYFVYJQAPQTCCC-GBXIJSLDSA-N": { "inchikey": "AYFVYJQAPQTCCC-GBXIJSLDSA-N", "inchikey2D": "AYFVYJQAPQTCCC", "names": [ "l-threonine" ], "molecular_formula": "C4H9NO3", "smiles": "C[C@@H](O)[C@H](N)C(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Flammulina", "[query-hint] Hypsizygus", "[query-hint] Saccharomyces cerevisiae", "[query-hint] Volvariella" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0184056" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina", "INCLUDE:Hypsizygus==Hypsizygus", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae", "INCLUDE:Volvariella==Volvariella" ] }, "QEVQGAGSLSJTLO-UHFFFAOYSA-N": { "inchikey": "QEVQGAGSLSJTLO-UHFFFAOYSA-N", "inchikey2D": "QEVQGAGSLSJTLO", "names": [ "5'-methoxy-4,5,5,6',10',12'-hexamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane]-2',4',6'-trien-3-ol" ], "molecular_formula": "C25H36O4", "smiles": "COc1ccc2c(c1C)CCC1(C)C3CCC21OC1(OC(C)(C)C(C)C1O)C3C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0123927" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "XANOSTKMMIEIMI-UHFFFAOYSA-N": { "inchikey": "XANOSTKMMIEIMI-UHFFFAOYSA-N", "inchikey2D": "XANOSTKMMIEIMI", "names": [ "6'-methoxy-4,5,5,5',10',14'-hexamethyl-16'-oxaspiro[oxolane-2,15'-tetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadecane]-2',4',6',8'-tetraen-3-ol" ], "molecular_formula": "C25H34O4", "smiles": "COc1ccc2c(c1C)C=CC13OC4(OC(C)(C)C(C)C4O)C(C)C1CCC23C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0191339" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "MTCFGRXMJLQNBG-REOHCLBHSA-N": { "inchikey": "MTCFGRXMJLQNBG-REOHCLBHSA-N", "inchikey2D": "MTCFGRXMJLQNBG", "names": [ "l-serine" ], "molecular_formula": "C3H7NO3", "smiles": "N[C@@H](CO)C(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Flammulina", "[query-hint] Hypsizygus", "[query-hint] Volvariella" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0106692" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina", "INCLUDE:Hypsizygus==Hypsizygus", "INCLUDE:Volvariella==Volvariella" ] }, "QNAYBMKLOCPYGJ-REOHCLBHSA-N": { "inchikey": "QNAYBMKLOCPYGJ-REOHCLBHSA-N", "inchikey2D": "QNAYBMKLOCPYGJ", "names": [ "l-alanine" ], "molecular_formula": "C3H7NO2", "smiles": "C[C@H](N)C(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Flammulina", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Hypholoma", "[query-hint] Lentinula" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0042208" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Hypholoma==Hypholoma" ] }, "KDXKERNSBIXSRK-YFKPBYRVSA-N": { "inchikey": "KDXKERNSBIXSRK-YFKPBYRVSA-N", "inchikey2D": "KDXKERNSBIXSRK", "names": [ "l-lysine" ], "molecular_formula": "C6H14N2O2", "smiles": "NCCCC[C@H](N)C(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Flammulina", "[query-hint] Hypholoma", "[query-hint] Saccharomyces cerevisiae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0068734" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina", "INCLUDE:Hypholoma==Hypholoma", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae" ] }, "UOJOULYYDYIENL-MMBOWIGNSA-N": { "inchikey": "UOJOULYYDYIENL-MMBOWIGNSA-N", "inchikey2D": "UOJOULYYDYIENL", "names": [ "(1r,3ar,5ar,7s,9as,9br,11ar)-1-[(2s,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl (9z,12z)-octadeca-9,12-dienoate" ], "molecular_formula": "C46H76O2", "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)/C=C/[C@H](C)C(C)C)C1", "species": [ "[query-hint] Agaricus", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0194307" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Ganoderma==Ganoderma" ] }, "FFEARJCKVFRZRR-SCSAIBSYSA-N": { "inchikey": "FFEARJCKVFRZRR-SCSAIBSYSA-N", "inchikey2D": "FFEARJCKVFRZRR", "names": [ "d-methionine" ], "molecular_formula": "C5H11NO2S", "smiles": "CSCC[C@@H](N)C(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Flammulina", "[query-hint] Saccharomyces cerevisiae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0108782" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae" ] }, "NKQOQQOOZLPVEV-FBHWSAQCSA-N": { "inchikey": "NKQOQQOOZLPVEV-FBHWSAQCSA-N", "inchikey2D": "NKQOQQOOZLPVEV", "names": [ "(1s,3ar,4s,5ar,7s,9as,11ar)-1-acetyl-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthrene-3,10-dione" ], "molecular_formula": "C24H34O5", "smiles": "CC(=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Agaricus", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0208378" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OUCGOGPSPXCCDF-UHFFFAOYSA-N": { "inchikey": "OUCGOGPSPXCCDF-UHFFFAOYSA-N", "inchikey2D": "OUCGOGPSPXCCDF", "names": [ "n-(3-hydroxy-1-{[hydroxy((2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy)phosphoryl]oxy}butan-2-yl)ethanimidic acid" ], "molecular_formula": "C18H34NO16P", "smiles": "CC(O)=NC(COP(=O)(O)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(C)O", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0137950" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "IXEQCBQJCGQVRZ-UHFFFAOYSA-N": { "inchikey": "IXEQCBQJCGQVRZ-UHFFFAOYSA-N", "inchikey2D": "IXEQCBQJCGQVRZ", "names": [ "3-hydroxy-4,5,5,10',14',16'-hexamethyl-18'-oxaspiro[oxolane-2,17'-pentacyclo[13.3.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]icosane]-2',5',12'-triene-4',7'-dione" ], "molecular_formula": "C28H36O5", "smiles": "CC1C(O)C2(OC1(C)C)OC13CCC(C2C)C1(C)C=CC1C3=CC(=O)C2=CC(=O)CCC21C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0205968" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "CKLJMWTZIZZHCS-REOHCLBHSA-N": { "inchikey": "CKLJMWTZIZZHCS-REOHCLBHSA-N", "inchikey2D": "CKLJMWTZIZZHCS", "names": [ "l-aspartic acid" ], "molecular_formula": "C4H7NO4", "smiles": "N[C@@H](CC(=O)O)C(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Flammulina", "[query-hint] Volvariella" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0205466" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina", "INCLUDE:Volvariella==Volvariella" ] }, "VVOGOUNTERYXBR-UHFFFAOYSA-N": { "inchikey": "VVOGOUNTERYXBR-UHFFFAOYSA-N", "inchikey2D": "VVOGOUNTERYXBR", "names": [ "n-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]sulfamic acid" ], "molecular_formula": "C6H6N2O4S", "smiles": "O=C1C=CC(=NNS(=O)(=O)O)C=C1", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0096731" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "ARXHRTZAVQOQEU-TXVKRLCMSA-N": { "inchikey": "ARXHRTZAVQOQEU-TXVKRLCMSA-N", "inchikey2D": "ARXHRTZAVQOQEU", "names": [ "(3ar,5ar,9ar,9br,11ar)-1-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,5h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,5a,7-triol" ], "molecular_formula": "C28H46O3", "smiles": "CC(C)C(C)C=CC(C)C1CC[C@H]2C3=CC(O)[C@@]4(O)CC(O)CC[C@]4(C)[C@@H]3CC[C@]12C", "species": [ "[query-hint] Agaricus", "[query-hint] Auricularia", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense", "[query-hint] Hericium", "[query-hint] Hericium erinaceus", "[query-hint] Hypholoma", "[query-hint] Lactarius", "[query-hint] Russula" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0078379" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Auricularia==Auricularia", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "ZHHYXNZJDGDGPJ-UHFFFAOYSA-N": { "inchikey": "ZHHYXNZJDGDGPJ-UHFFFAOYSA-N", "inchikey2D": "ZHHYXNZJDGDGPJ", "names": [ "2,4-nonadienal" ], "molecular_formula": "C9H14O", "smiles": "CCCCC=CC=CC=O", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0077882" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "FYGDTMLNYKFZSV-URKRLVJHSA-N": { "inchikey": "FYGDTMLNYKFZSV-URKRLVJHSA-N", "inchikey2D": "FYGDTMLNYKFZSV", "names": [ "(2s,3r,4r,6r)-5-{[(2s,3r,4r,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol" ], 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"INCLUDE:Agaricus==Agaricus" ] }, "QEVQGAGSLSJTLO-TVHHQFAESA-N": { "inchikey": "QEVQGAGSLSJTLO-TVHHQFAESA-N", "inchikey2D": "QEVQGAGSLSJTLO", "names": [ "(1'r,2s,3r,4s,10'r,11'r,12's)-5'-methoxy-4,5,5,6',10',12'-hexamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane]-2',4',6'-trien-3-ol" ], "molecular_formula": "C25H36O4", "smiles": "COc1ccc2c(c1C)CC[C@]1(C)[C@@H]3CC[C@]21O[C@@]1(OC(C)(C)[C@@H](C)[C@H]1O)[C@H]3C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0082687" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "QOXPZVASXWSKKU-UHFFFAOYSA-N": { "inchikey": "QOXPZVASXWSKKU-UHFFFAOYSA-N", "inchikey2D": "QOXPZVASXWSKKU", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C28H46O", "smiles": "CC(C)C(C)C=CC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21C", "species": [ 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"names": [ "2-amino-4-[(3,4-dihydroxyphenyl)-c-hydroxycarbonimidoyl]butanoic acid" ], "molecular_formula": "C11H14N2O5", "smiles": "NC(CCC(O)=Nc1ccc(O)c(O)c1)C(=O)O", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0106587" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "ZZLUANSADFHKRE-UHFFFAOYSA-N": { "inchikey": "ZZLUANSADFHKRE-UHFFFAOYSA-N", "inchikey2D": "ZZLUANSADFHKRE", "names": [ "6'-(hydroxymethyl)-5'-methoxy-4,5,5,10',12'-pentamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane]-2',4',6',8'-tetraen-3-ol" ], "molecular_formula": "C25H34O5", "smiles": "COc1ccc2c(c1CO)C=CC1(C)C3CCC21OC1(OC(C)(C)C(C)C1O)C3C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0040600" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "VTLSTMWXSWSSAT-UHFFFAOYSA-N": { "inchikey": "VTLSTMWXSWSSAT-UHFFFAOYSA-N", "inchikey2D": "VTLSTMWXSWSSAT", "names": [ "2-amino-4-[(4-hydroxyphenyl)-c-hydroxycarbonohydrazonoyl]butanoic acid" ], "molecular_formula": "C11H15N3O4", "smiles": "NC(CCC(O)=NNc1ccc(O)cc1)C(=O)O", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0046859" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "XANOSTKMMIEIMI-XJOOGWOKSA-N": { "inchikey": "XANOSTKMMIEIMI-XJOOGWOKSA-N", "inchikey2D": "XANOSTKMMIEIMI", "names": [ "(1's,2r,3r,4s,10'r,13'r,14's)-6'-methoxy-4,5,5,5',10',14'-hexamethyl-16'-oxaspiro[oxolane-2,15'-tetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadecane]-2',4',6',8'-tetraen-3-ol" ], "molecular_formula": "C25H34O4", "smiles": "COc1ccc2c(c1C)C=C[C@]13O[C@]4(OC(C)(C)[C@@H](C)[C@H]4O)[C@@H](C)[C@H]1CC[C@]23C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0198141" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "AGPKZVBTJJNPAG-WHFBIAKZSA-N": { "inchikey": "AGPKZVBTJJNPAG-WHFBIAKZSA-N", "inchikey2D": "AGPKZVBTJJNPAG", "names": [ "l-isoleucine" ], "molecular_formula": "C6H13NO2", "smiles": "CC[C@H](C)[C@H](N)C(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Flammulina", "[query-hint] Saccharomyces cerevisiae", "[query-hint] Volvariella" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0249538" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae", "INCLUDE:Volvariella==Volvariella" ] }, "ZQFUYFFDPNJAJG-MGPHVKMZSA-N": { "inchikey": "ZQFUYFFDPNJAJG-MGPHVKMZSA-N", "inchikey2D": "ZQFUYFFDPNJAJG", "names": [ "(1'r,2s,3r,4s,10'r,11'r,12's)-4-(hydroxymethyl)-5'-methoxy-5,5,6',10',12'-pentamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane]-2',4',6',8'-tetraen-3-ol" ], "molecular_formula": "C25H34O5", "smiles": "COc1ccc2c(c1C)C=C[C@]1(C)[C@@H]3CC[C@]21O[C@@]1(OC(C)(C)[C@@H](CO)[C@H]1O)[C@H]3C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0150893" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "FWPYIYVSYQRISA-LEOBWYFPSA-N": { "inchikey": "FWPYIYVSYQRISA-LEOBWYFPSA-N", "inchikey2D": "FWPYIYVSYQRISA", "names": [ "(1s,2r,5r,6r,10r,13s,15s)-5-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadeca-8,18-dien-13-ol", "5a,8a-Epidioxyergosta-6,9(11),22-trien-3" ], "molecular_formula": "C28H42O3", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Agaricus", "[query-hint] Cordyceps sinensis", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Grifola", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0148355", "npaid": "NPA009065" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Agaricus==Agaricus", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "LIQMFAHYIGAEHK-UHFFFAOYSA-N": { "inchikey": "LIQMFAHYIGAEHK-UHFFFAOYSA-N", "inchikey2D": "LIQMFAHYIGAEHK", "names": [ "6'-(hydroxymethyl)-4,5,5,10',12'-pentamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane]-2'(7'),3',5',8'-tetraene-3,5'-diol" ], "molecular_formula": "C24H32O5", "smiles": "CC1C(O)C2(OC1(C)C)OC13CCC(C2C)C1(C)C=Cc1c3ccc(O)c1CO", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0109524" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "SECPZKHBENQXJG-FPLPWBNLSA-N": { "inchikey": "SECPZKHBENQXJG-FPLPWBNLSA-N", "inchikey2D": "SECPZKHBENQXJG", "names": [ "palmitoleic acid" ], "molecular_formula": "C16H30O2", "smiles": "CCCCCC/C=C\\CCCCCCCC(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0261591" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JZQKTMZYLHNFPL-BLHCBFLLSA-N": { "inchikey": "JZQKTMZYLHNFPL-BLHCBFLLSA-N", "inchikey2D": "JZQKTMZYLHNFPL", "names": [ "decadienal" ], "molecular_formula": "C10H16O", "smiles": "CCCCC/C=C/C=C/C=O", "species": [ "[query-hint] Agaricus", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0198371" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GCZMATIVRQRSGU-ZMAXWMFCSA-N": { "inchikey": "GCZMATIVRQRSGU-ZMAXWMFCSA-N", "inchikey2D": "GCZMATIVRQRSGU", "names": [ "(2s,3r,4s,10's,11'r,12's)-4,5,5,6',10',12'-hexamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane]-2'(7'),3',5',8'-tetraene-3,5'-diol" ], "molecular_formula": "C24H32O4", "smiles": "Cc1c(O)ccc2c1C=C[C@@]1(C)[C@@H]3CCC21O[C@@]1(OC(C)(C)[C@@H](C)[C@H]1O)[C@H]3C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0174181" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "NMRPBPVERJPACX-MRVPVSSYSA-N": { "inchikey": "NMRPBPVERJPACX-MRVPVSSYSA-N", "inchikey2D": "NMRPBPVERJPACX", "names": [ "(3r)-octan-3-ol", "3-Octanol" ], "molecular_formula": "C8H18O", "smiles": "CCCCC[C@H](O)CC", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0173174", "npaid": "NPA002709" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Agaricus==Agaricus" ] }, "GUERPVMWCQXYEU-UHFFFAOYSA-N": { "inchikey": "GUERPVMWCQXYEU-UHFFFAOYSA-N", "inchikey2D": "GUERPVMWCQXYEU", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-5a,7,9b-trihydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-5-one" ], "molecular_formula": "C28H44O4", "smiles": "CC(C)C(C)C=CC(C)C1CCC2C3=CC(=O)C4(O)CC(O)CCC4(C)C3(O)CCC21C", "species": [ "[query-hint] Agaricus", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Grifola", "[query-hint] Pleurotus", "[query-hint] Pleurotus eryngii", "[query-hint] Trametes", "[query-hint] Trametes versicolor" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0122594" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Grifola==Grifola", "INCLUDE:Pleurotus==Pleurotus" ] }, "NBEFHJADFQAZKV-UHFFFAOYSA-N": { "inchikey": "NBEFHJADFQAZKV-UHFFFAOYSA-N", "inchikey2D": "NBEFHJADFQAZKV", "names": [ "1,3-bis(3,5-dichloro-4-hydroxybenzoyloxy)propan-2-yl acetate" ], "molecular_formula": "C19H14Cl4O8", "smiles": "CC(=O)OC(COC(=O)c1cc(Cl)c(O)c(Cl)c1)COC(=O)c1cc(Cl)c(O)c(Cl)c1", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0191753" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "VBISPJCTWIICDB-NEMMHDFISA-N": { "inchikey": "VBISPJCTWIICDB-NEMMHDFISA-N", "inchikey2D": "VBISPJCTWIICDB", "names": [ "(2s,3r,4s,7's,14's,16's)-4,5,5,10',14',16'-hexamethyl-18'-oxaspiro[oxolane-2,17'-pentacyclo[13.3.2.0¹,¹⁴.0²,¹¹.0⁴,⁹]icosane]-2',4'(9'),10',12'-tetraene-3,7'-diol" ], "molecular_formula": "C28H38O4", "smiles": "Cc1c2c(cc3c1C[C@@H](O)CC3)C13CCC([C@H](C)[C@]4(OC(C)(C)[C@@H](C)[C@H]4O)O1)[C@]3(C)C=C2", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0167967" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "XJLZCPIILZRCPS-ANMPWZFDSA-N": { "inchikey": "XJLZCPIILZRCPS-ANMPWZFDSA-N", "inchikey2D": "XJLZCPIILZRCPS", "names": [ "eburicol" ], "molecular_formula": "C31H52O", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C", "species": [ "[query-hint] Agaricus", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0201421" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "GREY:Antrodia" ] }, "SGMDQKBASJSDDV-ZETCQYMHSA-N": { "inchikey": "SGMDQKBASJSDDV-ZETCQYMHSA-N", "inchikey2D": "SGMDQKBASJSDDV", "names": [ "(2s)-2-[(3,4-dihydroxyphenyl)amino]-4-(c-hydroxycarbonimidoyl)butanoic acid" ], "molecular_formula": "C11H14N2O5", "smiles": "N=C(O)CC[C@H](Nc1ccc(O)c(O)c1)C(=O)O", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0272639" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "KEJYTPFHXXTRCU-UHFFFAOYSA-N": { "inchikey": "KEJYTPFHXXTRCU-UHFFFAOYSA-N", "inchikey2D": "KEJYTPFHXXTRCU", "names": [ "16-(3-hydroxy-3-methylbutan-2-yl)-6-methoxy-5,10,14-trimethyltetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadeca-2,4,6,8,13-pentaen-15-one" ], "molecular_formula": "C25H32O3", "smiles": "COc1ccc2c(c1C)C=CC13C(=C(C)C(=O)C1C(C)C(C)(C)O)CCC23C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0248146" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "WTQZSMDDRMKJRI-UHFFFAOYSA-N": { "inchikey": "WTQZSMDDRMKJRI-UHFFFAOYSA-N", "inchikey2D": "WTQZSMDDRMKJRI", "names": [ "4-(λ⁵-diazynylidene)cyclohexa-2,5-dien-1-one" ], "molecular_formula": "C6H4N2O", "smiles": "[N-]=[N+]=C1C=CC(=O)C=C1", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0273569" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "DNVPQKQSNYMLRS-APGDWVJJSA-N": { "inchikey": "DNVPQKQSNYMLRS-APGDWVJJSA-N", "inchikey2D": "DNVPQKQSNYMLRS", "names": [ "ergosterol" ], "molecular_formula": "C28H44O", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Agaricus", "[query-hint] Aspergillus niger", "[query-hint] Aspergillus terreus", "[query-hint] Cordyceps sinensis", "[query-hint] Fomitopsis", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Grifola", "[query-hint] Hericium", "[query-hint] Hericium erinaceus", "[query-hint] Hypholoma", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus", "[query-hint] Lactarius", "[query-hint] Ophiocordyceps", "[query-hint] Phellinus", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus", "[query-hint] Polyporus", "[query-hint] Russula", "[query-hint] Saccharomyces cerevisiae", "[query-hint] Trametes", "[query-hint] Trametes versicolor", "[query-hint] Wolfiporia", "[query-hint] Yarrowia lipolytica" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0171131" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Aspergillus niger==Aspergillus niger", "GREY:Aspergillus terreus", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "FWPYIYVSYQRISA-UHFFFAOYSA-N": { "inchikey": "FWPYIYVSYQRISA-UHFFFAOYSA-N", "inchikey2D": "FWPYIYVSYQRISA", "names": [ "5-(5,6-dimethylhept-3-en-2-yl)-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadeca-8,18-dien-13-ol" ], "molecular_formula": "C28H42O3", "smiles": "CC(C)C(C)C=CC(C)C1CCC2C34C=CC5(CC(O)CCC5(C)C3=CCC12C)OO4", "species": [ "[query-hint] Agaricus", "[query-hint] Cordyceps sinensis", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Grifola", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0146648" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AQPFYTGLRKZIIW-UHFFFAOYSA-N": { "inchikey": "AQPFYTGLRKZIIW-UHFFFAOYSA-N", "inchikey2D": "AQPFYTGLRKZIIW", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-8-methoxy-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-7,9b-diol" ], "molecular_formula": "C29H48O3", "smiles": "COC1CC2(C)C(CC=C3C4CCC(C(C)C=CC(C)C(C)C)C4(C)CCC32O)CC1O", "species": [ "[query-hint] Agaricus", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0165581" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Ganoderma==Ganoderma" ] }, "GQVCGTRDXSDAHC-CBQMSPAUSA-N": { "inchikey": "GQVCGTRDXSDAHC-CBQMSPAUSA-N", "inchikey2D": "GQVCGTRDXSDAHC", "names": [ "cerevisterol" ], "molecular_formula": "C29H48O3", "smiles": "CO[C@@H]1C=C2C3CC[C@H]([C@H](C)/C=C/C(C)C(C)C)[C@@]3(C)CCC2[C@@]2(C)CC[C@H](O)C[C@]12O", "species": [ "[query-hint] Agaricus", "[query-hint] Auricularia", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense", "[query-hint] Hericium", "[query-hint] Hericium erinaceus", "[query-hint] Hypholoma", "[query-hint] Lactarius", "[query-hint] Russula" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0167225" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Auricularia==Auricularia", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JXXGSRMRZPQIQN-MXYBEHONSA-N": { "inchikey": "JXXGSRMRZPQIQN-MXYBEHONSA-N", "inchikey2D": "JXXGSRMRZPQIQN", "names": [ "(1s,4as,5r,8ar)-5,6-bis(hydroxymethyl)-1,4a-dimethyl-2,3,4,5,8,8a-hexahydronaphthalene-1-carboxylic acid" ], "molecular_formula": "C15H24O4", "smiles": "C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H](CO)C(CO)=CC[C@@H]12", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0164539" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "QOXPZVASXWSKKU-UEIWAABPSA-N": { "inchikey": "QOXPZVASXWSKKU-UEIWAABPSA-N", "inchikey2D": "QOXPZVASXWSKKU", "names": [ "5α-ergosta-7,22-dien-3β-ol" ], "molecular_formula": "C28H46O", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Agaricus", "[query-hint] Fomitopsis", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense", "[query-hint] Hypholoma", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus", "[query-hint] Lentinula", "[query-hint] Polyporus", "[query-hint] Saccharomyces cerevisiae", "[query-hint] Trametes", "[query-hint] Trametes versicolor", "[query-hint] Yarrowia lipolytica" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0168048" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FBPFZTCFMRRESA-KVTDHHQDSA-N": { "inchikey": "FBPFZTCFMRRESA-KVTDHHQDSA-N", "inchikey2D": "FBPFZTCFMRRESA", "names": [ "mannitol" ], "molecular_formula": "C6H14O6", "smiles": "OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "species": [ "[query-hint] Agaricus", "[query-hint] Aspergillus niger", "[query-hint] Cordyceps", "[query-hint] Cordyceps cicadae", "[query-hint] Cordyceps sinensis", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus", "[query-hint] Ophiocordyceps", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus", "[query-hint] Volvariella", "[query-hint] Wolfiporia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0199986" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps cicadae==Cordyceps", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis" ] }, "JXXGSRMRZPQIQN-UHFFFAOYSA-N": { "inchikey": "JXXGSRMRZPQIQN-UHFFFAOYSA-N", "inchikey2D": "JXXGSRMRZPQIQN", "names": [ "5,6-bis(hydroxymethyl)-1,4a-dimethyl-2,3,4,5,8,8a-hexahydronaphthalene-1-carboxylic acid" ], "molecular_formula": "C15H24O4", "smiles": "CC1(C(=O)O)CCCC2(C)C(CO)C(CO)=CCC12", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0141219" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "XWKAVQKJQBISOL-ZETCQYMHSA-N": { "inchikey": "XWKAVQKJQBISOL-ZETCQYMHSA-N", "inchikey2D": "XWKAVQKJQBISOL", "names": [ "(2s)-2-(phenylamino)propanoic acid" ], "molecular_formula": "C9H11NO2", "smiles": "C[C@H](Nc1ccccc1)C(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Flammulina" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0199539" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina" ] }, "GCZMATIVRQRSGU-QGTFDFNLSA-N": { "inchikey": "GCZMATIVRQRSGU-QGTFDFNLSA-N", "inchikey2D": "GCZMATIVRQRSGU", "names": [ "(1'r,2r,3r,4s,10's,11'r,12's)-4,5,5,6',10',12'-hexamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane]-2'(7'),3',5',8'-tetraene-3,5'-diol" ], "molecular_formula": "C24H32O4", "smiles": "Cc1c(O)ccc2c1C=C[C@@]1(C)[C@@H]3CC[C@]21O[C@]1(OC(C)(C)[C@@H](C)[C@H]1O)[C@H]3C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0154425" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "GKTIPUYIQKAQLI-LTGVEDDOSA-N": { "inchikey": "GKTIPUYIQKAQLI-LTGVEDDOSA-N", "inchikey2D": "GKTIPUYIQKAQLI", "names": [ "(1'r,2s,3r,3's,4s,4's,10'r,14'r,15'r,16's)-3,3',4'-trihydroxy-4,5,5,10',14',16'-hexamethyl-18'-oxaspiro[oxolane-2,17'-pentacyclo[13.3.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]icosane]-2'(11'),5',12'-trien-7'-one" ], "molecular_formula": "C28H38O6", "smiles": "C[C@H]1[C@@H](O)[C@@]2(OC1(C)C)O[C@]13CC[C@H]([C@@H]2C)[C@@]1(C)C=CC1=C3[C@H](O)[C@@H](O)C2=CC(=O)CC[C@@]21C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0194461" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "LIEMBEWXEZJEEZ-INEUFUBQSA-N": { "inchikey": "LIEMBEWXEZJEEZ-INEUFUBQSA-N", "inchikey2D": "LIEMBEWXEZJEEZ", "names": [ "eritadenine" ], "molecular_formula": "C9H11N5O4", "smiles": "Nc1ncnc2c1ncn2C[C@@H](O)[C@@H](O)C(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Lentinula" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0260483" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Lentinula==Lentinula" ] }, "LEVWYRKDKASIDU-IMJSIDKUSA-N": { "inchikey": "LEVWYRKDKASIDU-IMJSIDKUSA-N", "inchikey2D": "LEVWYRKDKASIDU", "names": [ "l-cystine" ], "molecular_formula": "C6H12N2O4S2", "smiles": "N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Flammulina" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0192149" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina" ] }, "BWMCGUZUOFOKJF-UHFFFAOYSA-N": { "inchikey": "BWMCGUZUOFOKJF-UHFFFAOYSA-N", "inchikey2D": "BWMCGUZUOFOKJF", "names": [ "n-(1-methoxy-4-methyl-1-oxopentan-2-yl)benzenecarboximidic acid" ], "molecular_formula": "C14H19NO3", "smiles": "COC(=O)C(CC(C)C)N=C(O)c1ccccc1", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0160843" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "QLDNWJOJCDIMKK-XLFBYWHPSA-N": { "inchikey": "QLDNWJOJCDIMKK-XLFBYWHPSA-N", "inchikey2D": "QLDNWJOJCDIMKK", "names": [ "4α-methylfecosterol" ], "molecular_formula": "C29H48O", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0171290" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "UIRVMCAAPSEQTC-UHFFFAOYSA-N": { "inchikey": "UIRVMCAAPSEQTC-UHFFFAOYSA-N", "inchikey2D": "UIRVMCAAPSEQTC", "names": [ "oct-2-en-3-ol" ], "molecular_formula": "C8H16O", "smiles": "CC=C(O)CCCCC", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0166412" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "ZQFUYFFDPNJAJG-UHFFFAOYSA-N": { "inchikey": "ZQFUYFFDPNJAJG-UHFFFAOYSA-N", "inchikey2D": "ZQFUYFFDPNJAJG", "names": [ "4-(hydroxymethyl)-5'-methoxy-5,5,6',10',12'-pentamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane]-2',4',6',8'-tetraen-3-ol" ], "molecular_formula": "C25H34O5", "smiles": "COc1ccc2c(c1C)C=CC1(C)C3CCC21OC1(OC(C)(C)C(CO)C1O)C3C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0116075" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "KZSNJWFQEVHDMF-BYPYZUCNSA-N": { "inchikey": "KZSNJWFQEVHDMF-BYPYZUCNSA-N", "inchikey2D": "KZSNJWFQEVHDMF", "names": [ "l-valine" ], "molecular_formula": "C5H11NO2", "smiles": "CC(C)[C@H](N)C(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Flammulina", "[query-hint] Hypholoma", "[query-hint] Volvariella" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0231703" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina", "INCLUDE:Hypholoma==Hypholoma", "INCLUDE:Volvariella==Volvariella" ] }, "QJEDIZUTQZCCNK-AKQSXTAESA-N": { "inchikey": "QJEDIZUTQZCCNK-AKQSXTAESA-N", "inchikey2D": "QJEDIZUTQZCCNK", "names": [ "(1'r,2r,3r,4s,10's,11'r,12's)-5'-methoxy-4,5,5,6',10',12'-hexamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane]-2',4',6',8'-tetraen-3-ol" ], "molecular_formula": "C25H34O4", "smiles": "COc1ccc2c(c1C)C=C[C@@]1(C)[C@@H]3CC[C@]21O[C@]1(OC(C)(C)[C@@H](C)[C@H]1O)[C@H]3C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0235235" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "PHYCYDGQUYYBOJ-MRMPJBOISA-N": { "inchikey": "PHYCYDGQUYYBOJ-MRMPJBOISA-N", "inchikey2D": "PHYCYDGQUYYBOJ", "names": [ "n-[(2r)-1-methoxy-1-oxo-3-{[(7e,9s,10s,11s,12e,14s,16e,20s,21s,22e,24z,26z)-4,10,14,20,28-pentahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,32,34-tetraoxo-29-azatricyclo[28.3.1.0⁵,³³]tetratriaconta-1(33),2,4,7,12,16,22,24,26,28,30-undecaen-31-yl]sulfanyl}propan-2-yl]ethanimidic acid" ], "molecular_formula": "C46H56N2O12S", "smiles": "COC(=O)[C@H](CSC1=C2N=C(O)/C(C)=C\\C=C/C=C/[C@H](C)[C@@H](O)CC(=O)/C(C)=C/C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\\C)C(=O)c3c(O)c(C)cc(c3C1=O)C2=O)N=C(C)O", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0079965" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "XJLZCPIILZRCPS-UHFFFAOYSA-N": { "inchikey": "XJLZCPIILZRCPS-UHFFFAOYSA-N", "inchikey2D": "XJLZCPIILZRCPS", "names": [ "3a,6,6,9a,11a-pentamethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C31H52O", "smiles": "C=C(CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)C", "species": [ "[query-hint] Agaricus", "[query-hint] Antrodia", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0242255" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "GREY:Antrodia", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "OLPOUQMVOMXOGV-UHFFFAOYSA-N": { "inchikey": "OLPOUQMVOMXOGV-UHFFFAOYSA-N", "inchikey2D": "OLPOUQMVOMXOGV", "names": [ "2-amino-4-[(4-formylphenyl)-c-hydroxycarbonohydrazonoyl]butanoic acid" ], "molecular_formula": "C12H15N3O4", "smiles": "NC(CCC(O)=NNc1ccc(C=O)cc1)C(=O)O", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0156773" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "CKLJMWTZIZZHCS-UWTATZPHSA-N": { "inchikey": "CKLJMWTZIZZHCS-UWTATZPHSA-N", "inchikey2D": "CKLJMWTZIZZHCS", "names": [ "d-aspartic acid" ], "molecular_formula": "C4H7NO4", "smiles": "N[C@H](CC(=O)O)C(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Flammulina" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0144001" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina" ] }, "DNVPQKQSNYMLRS-GTJXICOESA-N": { "inchikey": "DNVPQKQSNYMLRS-GTJXICOESA-N", "inchikey2D": "DNVPQKQSNYMLRS", "names": [ "(1r,3as,7s,9ar,9br,11ar)-1-[(2s,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C28H44O", "smiles": "CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C", "species": [ "[query-hint] Agaricus", "[query-hint] Fomitopsis", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0167600" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Phellinus==Phellinus" ] }, "RVWGLBNUTMYAOL-DABZZXQESA-N": { "inchikey": "RVWGLBNUTMYAOL-DABZZXQESA-N", "inchikey2D": "RVWGLBNUTMYAOL", "names": [ "(1r,3ar,5as,7s,8s,9as,9bs,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-7,8,9b-triol" ], "molecular_formula": "C28H46O3", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)[C@@H](O)C[C@]4(C)[C@@]3(O)CC[C@@]21C", "species": [ "[query-hint] Agaricus", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0187326" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GKTIPUYIQKAQLI-XBUYSURHSA-N": { "inchikey": "GKTIPUYIQKAQLI-XBUYSURHSA-N", "inchikey2D": "GKTIPUYIQKAQLI", "names": [ "(1'r,2s,3r,3's,4s,4'r,10'r,14'r,15'r,16's)-3,3',4'-trihydroxy-4,5,5,10',14',16'-hexamethyl-18'-oxaspiro[oxolane-2,17'-pentacyclo[13.3.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]icosane]-2'(11'),5',12'-trien-7'-one" ], "molecular_formula": "C28H38O6", "smiles": "C[C@H]1[C@@H](O)[C@@]2(OC1(C)C)O[C@]13CC[C@H]([C@@H]2C)[C@@]1(C)C=CC1=C3[C@H](O)[C@H](O)C2=CC(=O)CC[C@@]21C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0120565" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "LZEHJKLMTNHEFW-UHFFFAOYSA-N": { "inchikey": "LZEHJKLMTNHEFW-UHFFFAOYSA-N", "inchikey2D": "LZEHJKLMTNHEFW", "names": [ "(3,5-dichloro-4-methoxyphenyl)methyl 3,5-dichloro-4-hydroxybenzoate" ], "molecular_formula": "C15H10Cl4O4", "smiles": "COc1c(Cl)cc(COC(=O)c2cc(Cl)c(O)c(Cl)c2)cc1Cl", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0161112" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "QNAYBMKLOCPYGJ-UWTATZPHSA-N": { "inchikey": "QNAYBMKLOCPYGJ-UWTATZPHSA-N", "inchikey2D": "QNAYBMKLOCPYGJ", "names": [ "d-alanine" ], "molecular_formula": "C3H7NO2", "smiles": "C[C@@H](N)C(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Flammulina", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0272178" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Pleurotus==Pleurotus" ] }, "UYMHEXBKIPYBOX-UHFFFAOYSA-N": { "inchikey": "UYMHEXBKIPYBOX-UHFFFAOYSA-N", "inchikey2D": "UYMHEXBKIPYBOX", "names": [ "1,5-bis(hydroxymethyl)-1,4a,6-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-ol" ], "molecular_formula": "C15H26O3", "smiles": "CC1=CCC2C(C)(CO)C(O)CCC2(C)C1CO", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0176837" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "NYMHFYDQBMRBMB-IUMXJWHTSA-N": { "inchikey": "NYMHFYDQBMRBMB-IUMXJWHTSA-N", "inchikey2D": "NYMHFYDQBMRBMB", "names": [ "(1r,3ar,5r,5ar,7s,9ar,9br,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-5,5a,7,9b-tetrol" ], "molecular_formula": "C28H46O4", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C", "species": [ "[query-hint] Agaricus", "[query-hint] Auricularia", "[query-hint] Cordyceps", "[query-hint] Grifola", "[query-hint] Lactarius", "[query-hint] Trametes", "[query-hint] Trametes versicolor" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0173027" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Auricularia==Auricularia", "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Grifola==Grifola", "INCLUDE:Lactarius==Lactarius" ] }, "LEVWYRKDKASIDU-QWWZWVQMSA-N": { "inchikey": "LEVWYRKDKASIDU-QWWZWVQMSA-N", "inchikey2D": "LEVWYRKDKASIDU", "names": [ "d-cystine" ], "molecular_formula": "C6H12N2O4S2", "smiles": "N[C@H](CSSC[C@@H](N)C(=O)O)C(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Flammulina" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0177923" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina" ] }, "ZQPPMHVWECSIRJ-KTKRTIGZSA-N": { "inchikey": "ZQPPMHVWECSIRJ-KTKRTIGZSA-N", "inchikey2D": "ZQPPMHVWECSIRJ", "names": [ "oleic acid" ], "molecular_formula": "C18H34O2", "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Cordyceps", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Lactarius", "[query-hint] Phellinus", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus", "[query-hint] Yarrowia lipolytica" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0256910" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GUERPVMWCQXYEU-IHEPTZRRSA-N": { "inchikey": "GUERPVMWCQXYEU-IHEPTZRRSA-N", "inchikey2D": "GUERPVMWCQXYEU", "names": [ "(1r,3ar,5ar,7s,9ar,9br,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-5a,7,9b-trihydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-5-one" ], "molecular_formula": "C28H44O4", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C", "species": [ "[query-hint] Agaricus", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Grifola", "[query-hint] Pleurotus", "[query-hint] Pleurotus eryngii", "[query-hint] Trametes", "[query-hint] Trametes 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"WHUUTDBJXJRKMK-VKHMYHEASA-N", "inchikey2D": "WHUUTDBJXJRKMK", "names": [ "l-glutamic acid" ], "molecular_formula": "C5H9NO4", "smiles": "N[C@@H](CCC(=O)O)C(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Flammulina", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus", "[query-hint] Volvariella" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0037133" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina", "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus ostreatus==Pleurotus", "INCLUDE:Volvariella==Volvariella" ] }, "VBISPJCTWIICDB-RDCGBHQJSA-N": { "inchikey": "VBISPJCTWIICDB-RDCGBHQJSA-N", "inchikey2D": "VBISPJCTWIICDB", "names": [ "(1'r,2s,3r,4s,7's,14'r,15'r,16's)-4,5,5,10',14',16'-hexamethyl-18'-oxaspiro[oxolane-2,17'-pentacyclo[13.3.2.0¹,¹⁴.0²,¹¹.0⁴,⁹]icosane]-2',4'(9'),10',12'-tetraene-3,7'-diol" ], "molecular_formula": "C28H38O4", "smiles": "Cc1c2c(cc3c1C[C@@H](O)CC3)[C@]13CC[C@H]([C@H](C)[C@]4(OC(C)(C)[C@@H](C)[C@H]4O)O1)[C@@]3(C)C=C2", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0259360" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "NMRPBPVERJPACX-UHFFFAOYSA-N": { "inchikey": "NMRPBPVERJPACX-UHFFFAOYSA-N", "inchikey2D": "NMRPBPVERJPACX", "names": [ "3-octanol" ], "molecular_formula": "C8H18O", "smiles": "CCCCCC(O)CC", "species": [ "[query-hint] Agaricus", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus", "[query-hint] Volvariella" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0055953" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus ostreatus==Pleurotus", "INCLUDE:Volvariella==Volvariella" ] }, "HDPGCJZQWYUKAO-UHFFFAOYSA-N": { "inchikey": "HDPGCJZQWYUKAO-UHFFFAOYSA-N", "inchikey2D": "HDPGCJZQWYUKAO", "names": [ "2-[(3,4-dioxocyclohexa-1,5-dien-1-yl)amino]-4-(c-hydroxycarbonimidoyl)butanoic acid" ], "molecular_formula": "C11H12N2O5", "smiles": "N=C(O)CCC(NC1=CC(=O)C(=O)C=C1)C(=O)O", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0191065" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "VXOZCESVZIRHCJ-KGHQQZOUSA-N": { "inchikey": "VXOZCESVZIRHCJ-KGHQQZOUSA-N", "inchikey2D": "VXOZCESVZIRHCJ", "names": [ "ergosterol peroxide" ], "molecular_formula": "C28H44O3", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4", "species": [ "[query-hint] Agaricus", "[query-hint] Aspergillus niger", "[query-hint] Cordyceps", "[query-hint] Cordyceps sinensis", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense", "[query-hint] Grifola", "[query-hint] Hericium", "[query-hint] Hericium erinaceus", "[query-hint] Hypholoma", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus", "[query-hint] Lactarius", "[query-hint] Ophiocordyceps", "[query-hint] Penicillium chrysogenum", "[query-hint] Phellinus", "[query-hint] Pleurotus", "[query-hint] Pleurotus eryngii", "[query-hint] Polyporus", "[query-hint] Russula", "[query-hint] Wolfiporia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0264710" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ganoderma==Ganoderma" ] }, "ODKSFYDXXFIFQN-BYPYZUCNSA-N": { "inchikey": "ODKSFYDXXFIFQN-BYPYZUCNSA-N", "inchikey2D": "ODKSFYDXXFIFQN", "names": [ "l-arginine" ], "molecular_formula": "C6H14N4O2", "smiles": "N=C(N)NCCC[C@H](N)C(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Coprinopsis", "[query-hint] Flammulina", "[query-hint] Hypholoma", "[query-hint] Volvariella" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0064737" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Coprinopsis==Coprinopsis", "INCLUDE:Flammulina==Flammulina", "INCLUDE:Hypholoma==Hypholoma", "INCLUDE:Volvariella==Volvariella" ] }, "BTCAEOLDEYPGGE-JVAZTMFWSA-N": { "inchikey": "BTCAEOLDEYPGGE-JVAZTMFWSA-N", "inchikey2D": "BTCAEOLDEYPGGE", "names": [ "episterol" ], "molecular_formula": "C28H46O", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C", "species": [ "[query-hint] Agaricus", "[query-hint] Phellinus", "[query-hint] Saccharomyces cerevisiae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0072150" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Phellinus==Phellinus", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces 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Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense", "[query-hint] Grifola", "[query-hint] Hypholoma", "[query-hint] Lactarius", "[query-hint] Penicillium chrysogenum", "[query-hint] Polyporus", "[query-hint] Russula", "[query-hint] Trametes", "[query-hint] Trametes versicolor" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0273061" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VXOZCESVZIRHCJ-BCJQJGGCSA-N": { "inchikey": "VXOZCESVZIRHCJ-BCJQJGGCSA-N", "inchikey2D": "VXOZCESVZIRHCJ", "names": [ "(1s,2s,5s,6r,9s,10r,15s)-5-(5,6-dimethylhept-3-en-2-yl)-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol" ], "molecular_formula": "C28H44O3", "smiles": 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"(1r,3ar,5r,5ar,7s,9ar,9bs,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-5-methoxy-9a,11a-dimethyl-1h,2h,3h,3ah,5h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5a,7-diol" ], "molecular_formula": "C29H48O3", "smiles": "CO[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]2(C)CC[C@H](O)C[C@]12O", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0177199" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "FNQWAQSWCDRWDH-KIPQSSDWSA-N": { "inchikey": "FNQWAQSWCDRWDH-KIPQSSDWSA-N", "inchikey2D": "FNQWAQSWCDRWDH", "names": [ "(1r,7s,9as,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl hexadecanoate", "Ergosta-7,22-dien-3beta-yl palmitate" ], "molecular_formula": "C44H76O2", "smiles": "CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(CC=C3C2CC[C@@]2(C)C3CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)C1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Agaricus", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0049158", "npaid": "NPA010115" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Agaricus==Agaricus", "INCLUDE:Ganoderma==Ganoderma" ] }, "GCZMATIVRQRSGU-UHFFFAOYSA-N": { "inchikey": "GCZMATIVRQRSGU-UHFFFAOYSA-N", "inchikey2D": "GCZMATIVRQRSGU", "names": [ "4,5,5,6',10',12'-hexamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane]-2'(7'),3',5',8'-tetraene-3,5'-diol" ], "molecular_formula": "C24H32O4", "smiles": "Cc1c(O)ccc2c1C=CC1(C)C3CCC21OC1(OC(C)(C)C(C)C1O)C3C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0233546" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "ZHHYXNZJDGDGPJ-BSWSSELBSA-N": { "inchikey": "ZHHYXNZJDGDGPJ-BSWSSELBSA-N", "inchikey2D": "ZHHYXNZJDGDGPJ", "names": [ "(2e,4e)-2,4-nonadienal" ], "molecular_formula": "C9H14O", "smiles": "CCCC/C=C/C=C/C=O", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0142459" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "MZTFHKCGOTZMAW-UHFFFAOYSA-N": { "inchikey": "MZTFHKCGOTZMAW-UHFFFAOYSA-N", "inchikey2D": "MZTFHKCGOTZMAW", "names": [ "5'-methoxy-4,5,5,6',10',12'-hexamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane]-2',4',6'-triene-3,8'-diol" ], "molecular_formula": "C25H36O5", "smiles": "COc1ccc2c(c1C)C(O)CC1(C)C3CCC21OC1(OC(C)(C)C(C)C1O)C3C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0201668" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "JARKCYVAAOWBJS-UHFFFAOYSA-N": { "inchikey": "JARKCYVAAOWBJS-UHFFFAOYSA-N", "inchikey2D": "JARKCYVAAOWBJS", "names": [ "hexanal" ], "molecular_formula": "C6H12O", "smiles": "CCCCCC=O", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0238624" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "RDMQPKIDHAFXKA-UHFFFAOYSA-N": { "inchikey": "RDMQPKIDHAFXKA-UHFFFAOYSA-N", "inchikey2D": "RDMQPKIDHAFXKA", "names": [ "6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O7", "smiles": "CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0164632" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QJEDIZUTQZCCNK-XJOOGWOKSA-N": { "inchikey": "QJEDIZUTQZCCNK-XJOOGWOKSA-N", "inchikey2D": "QJEDIZUTQZCCNK", "names": [ "(1'r,2r,3r,4s,10'r,11'r,12's)-5'-methoxy-4,5,5,6',10',12'-hexamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane]-2',4',6',8'-tetraen-3-ol" ], "molecular_formula": "C25H34O4", "smiles": "COc1ccc2c(c1C)C=C[C@]1(C)[C@@H]3CC[C@]21O[C@]1(OC(C)(C)[C@@H](C)[C@H]1O)[C@H]3C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0258388" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "UEWBRSZKEWLYPN-UHFFFAOYSA-N": { "inchikey": "UEWBRSZKEWLYPN-UHFFFAOYSA-N", "inchikey2D": "UEWBRSZKEWLYPN", "names": [ "6,6,9a,11a-tetramethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1h,2h,3h,3ah,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C30H50O", "smiles": "C=C(CCC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)C", "species": [ "[query-hint] Agaricus", "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0258335" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "JZQKTMZYLHNFPL-UHFFFAOYSA-N": { "inchikey": "JZQKTMZYLHNFPL-UHFFFAOYSA-N", "inchikey2D": "JZQKTMZYLHNFPL", "names": [ "deca-2,4-dienal" ], "molecular_formula": "C10H16O", "smiles": "CCCCCC=CC=CC=O", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0043934" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "BTCAEOLDEYPGGE-UHFFFAOYSA-N": { "inchikey": "BTCAEOLDEYPGGE-UHFFFAOYSA-N", "inchikey2D": "BTCAEOLDEYPGGE", "names": [ "9a,11a-dimethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C28H46O", "smiles": "C=C(CCC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21C)C(C)C", "species": [ "[query-hint] Agaricus", "[query-hint] Yarrowia lipolytica" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0055082" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Yarrowia lipolytica==Yarrowia lipolytica" ] }, "ZDGJAHTZVHVLOT-YUMQZZPRSA-N": { "inchikey": "ZDGJAHTZVHVLOT-YUMQZZPRSA-N", "inchikey2D": "ZDGJAHTZVHVLOT", "names": [ "l-saccharopine" ], "molecular_formula": "C11H20N2O6", "smiles": "N[C@@H](CCCCN[C@@H](CCC(=O)O)C(=O)O)C(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Flammulina", "[query-hint] Lentinula" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0243357" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Flammulina==Flammulina", "INCLUDE:Lentinula==Lentinula" ] }, "LOTUEIYQWILGCV-UHFFFAOYSA-N": { "inchikey": "LOTUEIYQWILGCV-UHFFFAOYSA-N", "inchikey2D": "LOTUEIYQWILGCV", "names": [ "2-amino-4-[(4-hydroxyphenyl)carbamoyl]butanoic acid" ], "molecular_formula": "C11H14N2O4", "smiles": "NC(CCC(=O)Nc1ccc(O)cc1)C(=O)O", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0251860" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "BDAPRCLUBGTBFD-PBRODLAQSA-N": { "inchikey": "BDAPRCLUBGTBFD-PBRODLAQSA-N", "inchikey2D": "BDAPRCLUBGTBFD", "names": [ "(1'r,2s,3r,4s,10'r,11'r,12's)-4,5,5,6',10',12'-hexamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane]-2'(7'),3',5'-triene-3,5'-diol" ], "molecular_formula": "C24H34O4", "smiles": "Cc1c(O)ccc2c1CC[C@]1(C)[C@@H]3CC[C@]21O[C@@]1(OC(C)(C)[C@@H](C)[C@H]1O)[C@H]3C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0245747" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "FNQWAQSWCDRWDH-UHFFFAOYSA-N": { "inchikey": "FNQWAQSWCDRWDH-UHFFFAOYSA-N", "inchikey2D": "FNQWAQSWCDRWDH", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl hexadecanoate" ], "molecular_formula": "C44H76O2", "smiles": "CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CC=C3C2CCC2(C)C3CCC2C(C)C=CC(C)C(C)C)C1", "species": [ "[query-hint] Agaricus", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0238491" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YOKQBCLMOKKBED-NHIHAHDRSA-N": { "inchikey": "YOKQBCLMOKKBED-NHIHAHDRSA-N", "inchikey2D": "YOKQBCLMOKKBED", "names": [ "(1'r,2s,3r,4s,14's,15'r,16's)-3-hydroxy-4,5,5,10',14',16'-hexamethyl-18'-oxaspiro[oxolane-2,17'-pentacyclo[13.3.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]icosane]-2'(11'),3',5',12'-tetraen-7'-one" ], "molecular_formula": "C28H36O4", "smiles": "C[C@H]1[C@@H](O)[C@@]2(OC1(C)C)O[C@]13CC[C@H]([C@@H]2C)[C@]1(C)C=CC1=C3C=CC2=CC(=O)CCC21C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0164518" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "FNQWAQSWCDRWDH-JQJJBBKJSA-N": { "inchikey": "FNQWAQSWCDRWDH-JQJJBBKJSA-N", "inchikey2D": "FNQWAQSWCDRWDH", "names": [ "(1r,3ar,5ar,7s,9as,9br,11ar)-1-[(2s,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl hexadecanoate" ], "molecular_formula": "C44H76O2", "smiles": "CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)/C=C/[C@H](C)C(C)C)C1", "species": [ "[query-hint] Agaricus", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0241906" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WQTCTMDKQPZJES-UHFFFAOYSA-N": { "inchikey": "WQTCTMDKQPZJES-UHFFFAOYSA-N", "inchikey2D": "WQTCTMDKQPZJES", "names": [ "o-phosphoethanolamine; bis(nonane)" ], "molecular_formula": "C20H48NO4P", "smiles": "CCCCCCCCC.CCCCCCCCC.NCCOP(=O)(O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Boletus", "[query-hint] Coprinus", "[query-hint] Geastrum", "[query-hint] Lactarius", "[query-hint] Phallus", "[query-hint] Russula", "[query-hint] Saccharomyces cerevisiae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0249963" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Boletus==Boletus", "INCLUDE:Coprinus==Coprinus", "INCLUDE:Geastrum==Geastrum", "INCLUDE:Lactarius==Lactarius" ] }, "GCZMATIVRQRSGU-PBRODLAQSA-N": { "inchikey": "GCZMATIVRQRSGU-PBRODLAQSA-N", "inchikey2D": "GCZMATIVRQRSGU", "names": [ "(1'r,2s,3r,4s,10'r,11'r,12's)-4,5,5,6',10',12'-hexamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane]-2'(7'),3',5',8'-tetraene-3,5'-diol" ], "molecular_formula": "C24H32O4", "smiles": "Cc1c(O)ccc2c1C=C[C@]1(C)[C@@H]3CC[C@]21O[C@@]1(OC(C)(C)[C@@H](C)[C@H]1O)[C@H]3C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0257858" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "DTOSIQBPPRVQHS-PDBXOOCHSA-N": { "inchikey": "DTOSIQBPPRVQHS-PDBXOOCHSA-N", "inchikey2D": "DTOSIQBPPRVQHS", "names": [ "α-linolenic acid" ], "molecular_formula": "C18H30O2", "smiles": "CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)O", "species": [ "[query-hint] Agaricus", "[query-hint] Lactarius" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0275508" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus", "INCLUDE:Lactarius==Lactarius" ] }, "VSMOENVRRABVKN-UHFFFAOYSA-N": { "inchikey": "VSMOENVRRABVKN-UHFFFAOYSA-N", "inchikey2D": "VSMOENVRRABVKN", "names": [ "1-octen-3-ol" ], "molecular_formula": "C8H16O", "smiles": "C=CC(O)CCCCC", "species": [ "[query-hint] Agaricus", "[query-hint] Lentinula", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus", "[query-hint] Volvariella" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0057101" }, "toxicity_filter_pass": 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"toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "SMLIFVAKZCGFSF-MJAOIUGUSA-N": { "inchikey": "SMLIFVAKZCGFSF-MJAOIUGUSA-N", "inchikey2D": "SMLIFVAKZCGFSF", "names": [ "methyl (2e,3z,5e)-6-[(3s)-3-hydroxy-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-7-yl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate" ], "molecular_formula": "C21H26O6", "smiles": "CO/C=C(C(=O)OC)\\C(C)=C/C=C/c1ccc2c(c1)OC(C)(C)[C@@H](O)CO2", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0228749" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "AAOVKJBEBIDNHE-UHFFFAOYSA-N": { "inchikey": "AAOVKJBEBIDNHE-UHFFFAOYSA-N", "inchikey2D": "AAOVKJBEBIDNHE", "names": [ "diazepam" ], "molecular_formula": "C16H13ClN2O", "smiles": "CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0079460" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "NGQPPHRBPAZXBM-VQDLLJBESA-N": { "inchikey": "NGQPPHRBPAZXBM-VQDLLJBESA-N", "inchikey2D": "NGQPPHRBPAZXBM", "names": [ "(5ar,7as,11as,11br)-1-hydroxy-3,5a,8,8,11a-pentamethyl-6,7,7a,9,10,11,11b,12-octahydro-5-oxatetraphene-2-carboxylic acid" ], "molecular_formula": "C23H32O4", "smiles": "Cc1cc2c(c(O)c1C(=O)O)C[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]1(C)O2", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0093681" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "FAVNXOVMWUMJAK-KRTXAFLBSA-N": { "inchikey": "FAVNXOVMWUMJAK-KRTXAFLBSA-N", "inchikey2D": "FAVNXOVMWUMJAK", "names": [ "n-{5-[(1r,2r)-1,2-dihydroxypropyl]-2-methoxyphenyl}ethanimidic acid" ], "molecular_formula": "C12H17NO4", "smiles": "COc1ccc([C@@H](O)[C@@H](C)O)cc1N=C(C)O", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0165048" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "SMLIFVAKZCGFSF-NAHXVELFSA-N": { "inchikey": "SMLIFVAKZCGFSF-NAHXVELFSA-N", "inchikey2D": "SMLIFVAKZCGFSF", "names": [ "methyl (2z,3z,5z)-6-(3-hydroxy-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-7-yl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate" ], "molecular_formula": "C21H26O6", "smiles": "CO/C=C(C(=O)OC)/C(C)=C\\C=C/c1ccc2c(c1)OC(C)(C)C(O)CO2", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0161395" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "HCXQIVLHUHTXGC-GBESFXJTSA-N": { "inchikey": "HCXQIVLHUHTXGC-GBESFXJTSA-N", "inchikey2D": "HCXQIVLHUHTXGC", "names": [ "2-[(2s)-2-{2-[(2r)-2-{2-[(2s)-2-(2,4-dihydroxy-6-methylbenzoyloxy)propyl]-4,6-dihydroxybenzoyloxy}propyl]-4,6-dihydroxybenzoyloxy}propyl]-4,6-dihydroxybenzoic acid" ], "molecular_formula": 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"FAVNXOVMWUMJAK-UHFFFAOYSA-N", "inchikey2D": "FAVNXOVMWUMJAK", "names": [ "n-[5-(1,2-dihydroxypropyl)-2-methoxyphenyl]ethanimidic acid" ], "molecular_formula": "C12H17NO4", "smiles": "COc1ccc(C(O)C(C)O)cc1N=C(C)O", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0000666" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "JGFBUHLBEGJYBL-BIVICCASSA-N": { "inchikey": "JGFBUHLBEGJYBL-BIVICCASSA-N", "inchikey2D": "JGFBUHLBEGJYBL", "names": [ "methyl (2e,3z,5e)-6-[(3s)-4,4-dimethyl-3-[(2-methylbut-3-en-2-yl)oxy]-2,3-dihydro-1,5-benzodioxepin-7-yl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate" ], "molecular_formula": "C26H34O6", "smiles": "C=CC(C)(C)O[C@H]1COc2ccc(/C=C/C=C(C)\\C(=C/OC)C(=O)OC)cc2OC1(C)C", "species": [ "[query-hint] Agaricus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0094500" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Agaricus==Agaricus" ] }, "HTYKEMWVKPSKKC-UUFSJQSLSA-N": { "inchikey": "HTYKEMWVKPSKKC-UUFSJQSLSA-N", "inchikey2D": "HTYKEMWVKPSKKC", "names": [ "Zhankuic acid D", "ethyl (6r)-6-[(1r,3ar,6s,9as,11ar)-6,9a,11a-trimethyl-4,7,10-trioxo-1h,2h,3h,3ah,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoate" ], "molecular_formula": "C31H44O5", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)C1CC3=O)C(C)C(=O)OCC", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0199410", "npaid": "NPA007689" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "CDFHJGSGTIXSQV-UHFFFAOYSA-N": { "inchikey": "CDFHJGSGTIXSQV-UHFFFAOYSA-N", "inchikey2D": "CDFHJGSGTIXSQV", "names": [ "5-(9,12-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-4-hydroxy-2,3-dimethoxy-6-methylcyclohex-2-en-1-one" ], 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"external_ids": { "lotus_id": "LTS0203187" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "ZPSJWLSADLCKBZ-MNGIRRGESA-N": { "inchikey": "ZPSJWLSADLCKBZ-MNGIRRGESA-N", "inchikey2D": "ZPSJWLSADLCKBZ", "names": [ "(2r,6r)-6-[(1r,4s,5as,6s,9as,11ar)-4-hydroxy-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C29H40O5", "smiles": "C=C(CC[C@@H](C)[C@H]1CC=C2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@@H]3O)[C@@H](C)C(=O)O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0072095" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "NWDZWEAPEOCWDK-UHFFFAOYSA-N": { "inchikey": "NWDZWEAPEOCWDK-UHFFFAOYSA-N", "inchikey2D": "NWDZWEAPEOCWDK", "names": [ "12-[2-(acetyloxy)-3,4-dimethoxy-6-methyl-5-oxocyclohex-3-en-1-yl]-4-hydroxy-2,6,10-trimethyldodeca-2,6,10-trienoic acid" ], "molecular_formula": "C26H38O8", "smiles": "COC1=C(OC)C(OC(C)=O)C(CC=C(C)CCC=C(C)CC(O)C=C(C)C(=O)O)C(C)C1=O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0134985" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "AGUVEQLHXOYHEK-QHCPKHFHSA-N": { "inchikey": "AGUVEQLHXOYHEK-QHCPKHFHSA-N", "inchikey2D": "AGUVEQLHXOYHEK", "names": [ "(2s)-2-(4,8-dimethylnona-3,7-dien-1-yl)-7-methoxy-2,5-dimethylchromen-6-ol", "Antroquinonol X" ], "molecular_formula": "C23H32O3", "smiles": "COc1cc2c(c(C)c1O)C=C[C@](C)(CCC=C(C)CCC=C(C)C)O2", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0088818", "npaid": "NPA022432" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "YOELFSHEOGQGPJ-UHFFFAOYSA-N": { "inchikey": "YOELFSHEOGQGPJ-UHFFFAOYSA-N", "inchikey2D": "YOELFSHEOGQGPJ", "names": [ "5-methyl-2h-1,3-benzodioxole-4,7-dione" ], "molecular_formula": "C8H6O4", "smiles": "CC1=CC(=O)C2=C(OCO2)C1=O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0166515" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "DVORYMAGXQGBQK-BQPMOXFZSA-N": { "inchikey": "DVORYMAGXQGBQK-BQPMOXFZSA-N", "inchikey2D": "DVORYMAGXQGBQK", "names": [ "antcin b" ], "molecular_formula": "C29H40O5", "smiles": "C=C(CCC(C)C1CCC2C3=C(C(=O)CC21C)C1(C)CCC(=O)[C@@H](C)C1CC3=O)C(C)C(=O)O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0183466" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "PMHCHLYGCHPBEC-UHFFFAOYSA-N": { "inchikey": "PMHCHLYGCHPBEC-UHFFFAOYSA-N", "inchikey2D": "PMHCHLYGCHPBEC", "names": [ "6-{6,9a,11a-trimethyl-7,10-dioxo-1h,2h,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C29H40O4", "smiles": "C=C(CCC(C)C1CC=C2C3=C(C(=O)CC21C)C1(C)CCC(=O)C(C)C1CC3)C(C)C(=O)O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0088735" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "TWISSXUWVGIUBP-UHFFFAOYSA-N": { "inchikey": "TWISSXUWVGIUBP-UHFFFAOYSA-N", "inchikey2D": "TWISSXUWVGIUBP", "names": [ "6-{4-hydroxy-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C29H42O5", "smiles": "C=C(CCC(C)C1CCC2C3=C(C(=O)CC21C)C1(C)CCC(=O)C(C)C1CC3O)C(C)C(=O)O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0073877" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "KZJWDPNRJALLNS-VJSFXXLFSA-N": { "inchikey": "KZJWDPNRJALLNS-VJSFXXLFSA-N", "inchikey2D": "KZJWDPNRJALLNS", "names": [ "sitosterol" ], "molecular_formula": "C29H50O", "smiles": "CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C", "species": [ "[query-hint] Antrodia", "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0168132" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "ZEXGDMONMBETSX-KXBDBKRRSA-N": { "inchikey": "ZEXGDMONMBETSX-KXBDBKRRSA-N", "inchikey2D": "ZEXGDMONMBETSX", "names": [ "(2r,6r)-6-[(1r,3as,5as,6s,9as,11ar)-3a-hydroxy-6,9a,11a-trimethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C29H40O6", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(O)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O)[C@@H](C)C(=O)O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0094263" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "TXEJUZMIQVTZHO-LVMIJFGSSA-N": { "inchikey": "TXEJUZMIQVTZHO-LVMIJFGSSA-N", "inchikey2D": "TXEJUZMIQVTZHO", "names": [ "(6r)-6-[(6s,7r)-7-hydroxy-6,9a,11a-trimethyl-4,10-dioxo-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid", "Zhankuic acid B" ], "molecular_formula": "C29H42O5", "smiles": "C=C(CC[C@@H](C)C1CCC2C3=C(C(=O)CC21C)C1(C)CC[C@@H](O)[C@@H](C)C1CC3=O)C(C)C(=O)O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0088661", "npaid": "NPA015828" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "NCOKWRIBBVIWNF-UHFFFAOYSA-N": { "inchikey": "NCOKWRIBBVIWNF-UHFFFAOYSA-N", "inchikey2D": "NCOKWRIBBVIWNF", "names": [ "4-hydroxy-5-(12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-2,3-dimethoxy-6-methylcyclohex-2-en-1-one" ], "molecular_formula": "C24H38O5", "smiles": "COC1=C(OC)C(O)C(CC=C(C)CCC=C(C)CCC=C(C)CO)C(C)C1=O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0087288" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "VNUJMOUXAAVKJG-HDSFCPGNSA-N": { "inchikey": "VNUJMOUXAAVKJG-HDSFCPGNSA-N", "inchikey2D": "VNUJMOUXAAVKJG", "names": [ "(1's,2r,5'r,8'r,10's,13'r,17's,18's,20's,21'r)-8',17',20'-trihydroxy-1',3,4,6',6',10',17',21'-octamethyl-14'-oxaspiro[furan-2,15'-pentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicosane]-2',11'-diene-5,7'-dione", "Antrolactone A" ], "molecular_formula": "C31H42O7", "smiles": "CC1=C(C)[C@@]2(C[C@](C)(O)[C@H]3C[C@H](O)[C@@]4(C)C5=CC[C@H]6C(C)(C)C(=O)[C@H](O)C[C@]6(C)C5=C[C@@H](O2)[C@]34C)OC1=O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0090417", "npaid": "NPA021961" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "ZWMDJBNGXKAIRO-PXKALVETSA-N": { "inchikey": "ZWMDJBNGXKAIRO-PXKALVETSA-N", "inchikey2D": "ZWMDJBNGXKAIRO", "names": [ "methyl (2s,6r)-6-[(1r,3ar,5as,6s,7r,9as,11r,11ar)-7,11-dihydroxy-6,9a,11a-trimethyl-4,10-dioxo-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoate" ], "molecular_formula": "C30H44O6", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@@H]1CC3=O)[C@H](C)C(=O)OC", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0098292" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "AILGRWSIRAPLCJ-UHFFFAOYSA-N": { "inchikey": "AILGRWSIRAPLCJ-UHFFFAOYSA-N", "inchikey2D": "AILGRWSIRAPLCJ", "names": [ "3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]-1H-pyrrole-2,5-dione", "5-hydroxy-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-4-(2-methylpropyl)pyrrol-2-one" ], "molecular_formula": "C19H23NO3", "smiles": "CC(C)=CCOc1ccc(C2=C(CC(C)C)C(O)=NC2=O)cc1", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0169860", "npaid": "NPA013897" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "NZJIIJSJLBIJDO-OKGSVPSPSA-N": { "inchikey": "NZJIIJSJLBIJDO-OKGSVPSPSA-N", "inchikey2D": "NZJIIJSJLBIJDO", "names": [ "methyl (2s,6r)-6-[(1r,3ar,5as,6s,9as,11ar)-6,9a,11a-trimethyl-4,7,10-trioxo-1h,2h,3h,3ah,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoate" ], "molecular_formula": "C30H42O5", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O)[C@H](C)C(=O)OC", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0095719" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "QYDYPVFESGNLHU-KHPPLWFESA-N": { "inchikey": "QYDYPVFESGNLHU-KHPPLWFESA-N", "inchikey2D": "QYDYPVFESGNLHU", "names": [ "methyl oleate" ], "molecular_formula": "C19H36O2", "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC", "species": [ "[query-hint] Antrodia", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0113685" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "INCLUDE:Ganoderma==Ganoderma" ] }, "XJLZCPIILZRCPS-BGIAOWSUSA-N": { "inchikey": "XJLZCPIILZRCPS-BGIAOWSUSA-N", "inchikey2D": "XJLZCPIILZRCPS", "names": [ "(1r,3ar,7s,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C31H52O", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(C)C", "species": [ "[query-hint] Antrodia", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0055042" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "RMUGCYNOXFBOIJ-UHFFFAOYSA-N": { "inchikey": "RMUGCYNOXFBOIJ-UHFFFAOYSA-N", "inchikey2D": "RMUGCYNOXFBOIJ", "names": [ "2,3-dimethoxy-5-methyl-4-oxo-6-(9,12,12-trihydroxy-3,7,11-trimethyldodeca-2,6-dien-1-yl)cyclohex-2-en-1-yl acetate" ], "molecular_formula": "C26H42O8", "smiles": "COC1=C(OC)C(OC(C)=O)C(CC=C(C)CCC=C(C)CC(O)CC(C)C(O)O)C(C)C1=O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0115633" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "ZWMDJBNGXKAIRO-UHFFFAOYSA-N": { "inchikey": "ZWMDJBNGXKAIRO-UHFFFAOYSA-N", "inchikey2D": "ZWMDJBNGXKAIRO", "names": [ "methyl 6-{7,11-dihydroxy-6,9a,11a-trimethyl-4,10-dioxo-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptanoate" ], "molecular_formula": "C30H44O6", "smiles": "C=C(CCC(C)C1CCC2C3=C(C(=O)C(O)C21C)C1(C)CCC(O)C(C)C1CC3=O)C(C)C(=O)OC", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0116762" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "OVZPMQOYHUYDEQ-UHFFFAOYSA-N": { "inchikey": "OVZPMQOYHUYDEQ-UHFFFAOYSA-N", "inchikey2D": "OVZPMQOYHUYDEQ", "names": [ "Antrocinnamomin B", "antrocinnamomin b" ], "molecular_formula": "C14H15NO4", "smiles": "CC(C)CC1=C(c2ccc(O)cc2)C(=O)N(O)C1=O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0190355", "npaid": "NPA014989" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "BVWJFDHKOJMNQI-UHFFFAOYSA-N": { "inchikey": "BVWJFDHKOJMNQI-UHFFFAOYSA-N", "inchikey2D": "BVWJFDHKOJMNQI", "names": [ "5-methyl-2h-1,3-benzodioxole-4,7-diol" ], "molecular_formula": "C8H8O4", "smiles": "Cc1cc(O)c2c(c1O)OCO2", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0181531" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "DVORYMAGXQGBQK-QCMFUGJUSA-N": { "inchikey": "DVORYMAGXQGBQK-QCMFUGJUSA-N", "inchikey2D": "DVORYMAGXQGBQK", "names": [ "antcin b" ], "molecular_formula": "C29H40O5", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O)C(C)C(=O)O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0130706" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "XLVYUNMQRIFHHB-UHFFFAOYSA-N": { "inchikey": "XLVYUNMQRIFHHB-UHFFFAOYSA-N", "inchikey2D": "XLVYUNMQRIFHHB", "names": [ "4-[2,5-dihydroxy-4-(3-methylbut-3-en-1-yn-1-yl)phenyl]-2-methylbutanoic acid", "Serialynic acid" ], "molecular_formula": "C16H18O4", "smiles": "C=C(C)C#Cc1cc(O)c(CCC(C)C(=O)O)cc1O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0182445", "npaid": "NPA017482" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "KZJWDPNRJALLNS-UHFFFAOYSA-N": { "inchikey": "KZJWDPNRJALLNS-UHFFFAOYSA-N", "inchikey2D": "KZJWDPNRJALLNS", "names": [ "stigmast-5-en-3-ol, (3β)-" ], "molecular_formula": "C29H50O", "smiles": "CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C", "species": [ "[query-hint] Antrodia", "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps", "[query-hint] Saccharomyces cerevisiae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0204616" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae" ] }, "VYLJAYZXXSJLRX-ZWKBOAIUSA-N": { "inchikey": "VYLJAYZXXSJLRX-ZWKBOAIUSA-N", "inchikey2D": "VYLJAYZXXSJLRX", "names": [ "(2r)-2-[(1r,3s,3ar,6s,7s,9as,11ar)-3,6-bis(acetyloxy)-7-hydroxy-3a,6,9a,11a-tetramethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid", "15alpha-Acetyl-dehydrosulphurenic acid" ], "molecular_formula": "C34H50O7", "smiles": "C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CCC4[C@](C)(CC[C@H](O)[C@@]4(C)OC(C)=O)C3=CC[C@]12C)C(C)C", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0198189", "npaid": "NPA019498" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "PMHCHLYGCHPBEC-XHJDEWCXSA-N": { "inchikey": "PMHCHLYGCHPBEC-XHJDEWCXSA-N", "inchikey2D": "PMHCHLYGCHPBEC", "names": [ "(2r,6r)-6-[(1r,5as,6s,9as,11ar)-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C29H40O4", "smiles": "C=C(CC[C@@H](C)[C@H]1CC=C2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3)[C@@H](C)C(=O)O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0246566" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "NZJIIJSJLBIJDO-UHFFFAOYSA-N": { "inchikey": "NZJIIJSJLBIJDO-UHFFFAOYSA-N", "inchikey2D": "NZJIIJSJLBIJDO", "names": [ "methyl 6-{6,9a,11a-trimethyl-4,7,10-trioxo-1h,2h,3h,3ah,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptanoate" ], "molecular_formula": "C30H42O5", "smiles": "C=C(CCC(C)C1CCC2C3=C(C(=O)CC21C)C1(C)CCC(=O)C(C)C1CC3=O)C(C)C(=O)OC", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0197574" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "RNDWEMBYMPZABZ-UHFFFAOYSA-N": { "inchikey": "RNDWEMBYMPZABZ-UHFFFAOYSA-N", "inchikey2D": "RNDWEMBYMPZABZ", "names": [ "2-methyl-6-methoxyhydroquinone" ], "molecular_formula": "C8H10O3", "smiles": "COc1cc(O)cc(C)c1O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0138963" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "FHZXTBYGLVPEAT-VAXJKGLHSA-N": { "inchikey": "FHZXTBYGLVPEAT-VAXJKGLHSA-N", "inchikey2D": "FHZXTBYGLVPEAT", "names": [ "(3r,5s)-5-[(2e,6e)-8-[(1r,2r,6r)-2-hydroxy-4-methoxy-6-methyl-5-oxocyclohex-3-en-1-yl]-2,6-dimethylocta-2,6-dien-1-yl]-3-methyloxolan-2-one", "Antroquinonol S" ], "molecular_formula": "C23H34O5", "smiles": "COC1=C[C@H](O)[C@H](C/C=C(\\C)CC/C=C(\\C)C[C@@H]2C[C@@H](C)C(=O)O2)[C@@H](C)C1=O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0168204", "npaid": "NPA022429" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "ZWMDJBNGXKAIRO-HVKSYHKBSA-N": { "inchikey": "ZWMDJBNGXKAIRO-HVKSYHKBSA-N", "inchikey2D": "ZWMDJBNGXKAIRO", "names": [ "methyl 6-[(3ar,6s,7r,11r)-7,11-dihydroxy-6,9a,11a-trimethyl-4,10-dioxo-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoate", "methyl antcinate H" ], "molecular_formula": "C30H44O6", "smiles": "C=C(CCC(C)C1CC[C@H]2C3=C(C(=O)[C@H](O)C12C)C1(C)CC[C@@H](O)[C@@H](C)C1CC3=O)C(C)C(=O)OC", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0172006", "npaid": "NPA016482" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "WXPZEPUXWIIWJB-QMMMGPOBSA-N": { "inchikey": "WXPZEPUXWIIWJB-QMMMGPOBSA-N", "inchikey2D": "WXPZEPUXWIIWJB", "names": [ "3-[(2s)-butan-2-yl]-4-(4-hydroxyphenyl)furan-2,5-dione" ], "molecular_formula": "C14H14O4", "smiles": "CC[C@H](C)C1=C(c2ccc(O)cc2)C(=O)OC1=O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0152945" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "OHJWNSKAARSLCF-YUJFKFJSSA-N": { "inchikey": "OHJWNSKAARSLCF-YUJFKFJSSA-N", "inchikey2D": "OHJWNSKAARSLCF", "names": [ "(6r)-6-[(1r,3ar,3br,5as,6s,9as,9bs,11ar)-3a-hydroxy-6,9a,11a-trimethyl-4,7,10-trioxo-decahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C29H42O6", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(O)[C@@H]3C(=O)C[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C)C(C)C(=O)O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0139588" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "BISKIPFYEROROF-UHFFFAOYSA-N": { "inchikey": "BISKIPFYEROROF-UHFFFAOYSA-N", "inchikey2D": "BISKIPFYEROROF", "names": [ "5-(9,12-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-4-hydroxy-2-methoxy-6-methylcyclohex-2-en-1-one" ], "molecular_formula": "C23H36O5", "smiles": "COC1=CC(O)C(CC=C(C)CCC=C(C)CC(O)C=C(C)CO)C(C)C1=O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0154891" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "ZUKZELAIKKOIBV-SRNQMFCMSA-N": { "inchikey": "ZUKZELAIKKOIBV-SRNQMFCMSA-N", "inchikey2D": "ZUKZELAIKKOIBV", "names": [ "(4r,5r,6r)-4-hydroxy-5-(12-hydroxy-3,7,11-trimethyldodeca-2,6-dien-1-yl)-2,3-dimethoxy-6-methylcyclohex-2-en-1-one", "Antroquinonol W" ], "molecular_formula": "C24H40O5", "smiles": "COC1=C(OC)[C@H](O)[C@H](CC=C(C)CCC=C(C)CCCC(C)CO)[C@@H](C)C1=O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0216942", "npaid": "NPA022431" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "YGOVUEFRDLADKX-RCLSDMTESA-N": { "inchikey": "YGOVUEFRDLADKX-RCLSDMTESA-N", "inchikey2D": "YGOVUEFRDLADKX", "names": [ "(4r,5r,6r)-5-[(9s)-9,12-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-3,6-dihydroxy-2-methoxy-4-methylcyclohex-2-en-1-one", "Antroquinonol R" ], "molecular_formula": "C23H36O6", "smiles": "COC1=C(O)[C@H](C)[C@@H](CC=C(C)CCC=C(C)C[C@H](O)C=C(C)CO)[C@@H](O)C1=O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0156718", "npaid": "NPA022428" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "BVEGUQASCBYJEZ-AEXRDEPISA-N": { "inchikey": "BVEGUQASCBYJEZ-AEXRDEPISA-N", "inchikey2D": "BVEGUQASCBYJEZ", "names": [ "(1's,2r,5'r,7'r,10's,13'r,17's,18's,20's,21'r)-7',17',20'-trihydroxy-1',3,4,6',6',10',17',21'-octamethyl-14'-oxaspiro[furan-2,15'-pentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicosane]-2',11'-diene-5,8'-dione", "Antrolactone B" ], "molecular_formula": "C31H42O7", "smiles": "CC1=C(C)[C@@]2(C[C@](C)(O)[C@H]3C[C@H](O)[C@@]4(C)C5=CC[C@H]6C(C)(C)[C@@H](O)C(=O)C[C@]6(C)C5=C[C@@H](O2)[C@]34C)OC1=O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0108341", "npaid": "NPA021962" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "OJSZXJGYUVZRNU-UHFFFAOYSA-N": { "inchikey": "OJSZXJGYUVZRNU-UHFFFAOYSA-N", "inchikey2D": "OJSZXJGYUVZRNU", "names": [ "1-hydroxy-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-4-(2-methylpropyl)pyrrole-2,5-dione", "3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]-1H-pyrrol-1-ol-2,5-dione" ], "molecular_formula": "C19H23NO4", "smiles": "CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(O)C2=O)cc1", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0093142", "npaid": "NPA008115" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "VNUJMOUXAAVKJG-UHFFFAOYSA-N": { "inchikey": "VNUJMOUXAAVKJG-UHFFFAOYSA-N", "inchikey2D": "VNUJMOUXAAVKJG", "names": [ "8',17',20'-trihydroxy-1',3,4,6',6',10',17',21'-octamethyl-14'-oxaspiro[furan-2,15'-pentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicosane]-2',11'-diene-5,7'-dione" ], "molecular_formula": "C31H42O7", "smiles": "CC1=C(C)C2(CC(C)(O)C3CC(O)C4(C)C5=CCC6C(C)(C)C(=O)C(O)CC6(C)C5=CC(O2)C34C)OC1=O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0140761" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "FGNQCSVHEUANOF-UHFFFAOYSA-N": { "inchikey": "FGNQCSVHEUANOF-UHFFFAOYSA-N", "inchikey2D": "FGNQCSVHEUANOF", "names": [ "2-(9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione" ], "molecular_formula": "C24H34O5", "smiles": "COC1=C(OC)C(=O)C(CC=C(C)CCC=C(C)CC(O)C=C(C)C)=C(C)C1=O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0088552" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "TXEJUZMIQVTZHO-UHFFFAOYSA-N": { "inchikey": "TXEJUZMIQVTZHO-UHFFFAOYSA-N", "inchikey2D": "TXEJUZMIQVTZHO", "names": [ "6-{7-hydroxy-6,9a,11a-trimethyl-4,10-dioxo-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C29H42O5", "smiles": "C=C(CCC(C)C1CCC2C3=C(C(=O)CC21C)C1(C)CCC(O)C(C)C1CC3=O)C(C)C(=O)O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0133839" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "OQSIHFQGHSHRHF-UHFFFAOYSA-N": { "inchikey": "OQSIHFQGHSHRHF-UHFFFAOYSA-N", "inchikey2D": "OQSIHFQGHSHRHF", "names": [ "methyl 6-[4-(acetyloxy)-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoate" ], "molecular_formula": "C32H46O6", "smiles": "C=C(CCC(C)C1CCC2C3=C(C(=O)CC21C)C1(C)CCC(=O)C(C)C1CC3OC(C)=O)C(C)C(=O)OC", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0073325" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "SDYJYMBMSYYZIC-TYNCELHUSA-N": { "inchikey": "SDYJYMBMSYYZIC-TYNCELHUSA-N", "inchikey2D": "SDYJYMBMSYYZIC", "names": [ "(3ar,6as,10as)-7,7-dimethyl-4-methylidene-octahydronaphtho[4,4a-c]furan-1-one" ], "molecular_formula": "C15H22O2", "smiles": "C=C1CC[C@H]2C(C)(C)CCC[C@]23C(=O)OC[C@H]13", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0112867" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "AOHVXUIUIGQIIP-TZPKLYSRSA-N": { "inchikey": "AOHVXUIUIGQIIP-TZPKLYSRSA-N", "inchikey2D": "AOHVXUIUIGQIIP", "names": [ "6-[(6s)-6,9a,11a-trimethyl-4-methylidene-7,10-dioxo-1h,2h,3h,3ah,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C30H42O4", "smiles": "C=C1CC2[C@H](C)C(=O)CCC2(C)C2=C1C1CCC(C(C)CCC(=C)C(C)C(=O)O)C1(C)CC2=O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0276120" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "JVQOVXPSHOWVQH-PFLXJFGVSA-N": { "inchikey": "JVQOVXPSHOWVQH-PFLXJFGVSA-N", "inchikey2D": "JVQOVXPSHOWVQH", "names": [ "methyl (2s,6r)-6-[(1r,3ar,5as,6s,9as,11ar)-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoate" ], "molecular_formula": "C30H44O4", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3)[C@H](C)C(=O)OC", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0095914" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "NFEIVDQHCXSVSI-AWEZNQCLSA-N": { "inchikey": "NFEIVDQHCXSVSI-AWEZNQCLSA-N", "inchikey2D": "NFEIVDQHCXSVSI", "names": [ "3-[(2s)-butan-2-yl]-4-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-2,5-dioxopyrrol-1-yl acetate" ], "molecular_formula": "C21H25NO5", "smiles": "CC[C@H](C)C1=C(c2ccc(OCC=C(C)C)cc2)C(=O)N(OC(C)=O)C1=O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0092635" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "BQRNCHMQFXWCEM-UHFFFAOYSA-N": { "inchikey": "BQRNCHMQFXWCEM-UHFFFAOYSA-N", "inchikey2D": "BQRNCHMQFXWCEM", "names": [ "4-methoxy-7-methyl-2h-1,3-benzodioxol-5-ol", "4-methoxy-7-methylbenzo[d][1,3]dioxol-5-OL" ], "molecular_formula": "C9H10O4", "smiles": "COc1c(O)cc(C)c2c1OCO2", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0183190", "npaid": "NPA027109" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "UIXPTCZPFCVOQF-UHFFFAOYSA-N": { "inchikey": "UIXPTCZPFCVOQF-UHFFFAOYSA-N", "inchikey2D": "UIXPTCZPFCVOQF", "names": [ "coenzyme q0" ], "molecular_formula": "C9H10O4", "smiles": "COC1=C(OC)C(=O)C(C)=CC1=O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0252973" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "OQSIHFQGHSHRHF-JCYPKHAUSA-N": { "inchikey": "OQSIHFQGHSHRHF-JCYPKHAUSA-N", "inchikey2D": "OQSIHFQGHSHRHF", "names": [ "methyl (2s,6r)-6-[(1r,3ar,4r,5as,6s,9as,11ar)-4-(acetyloxy)-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoate" ], "molecular_formula": "C32H46O6", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@H]3OC(C)=O)[C@H](C)C(=O)OC", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0242034" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "NCOKWRIBBVIWNF-KCZVDYSFSA-N": { "inchikey": "NCOKWRIBBVIWNF-KCZVDYSFSA-N", "inchikey2D": "NCOKWRIBBVIWNF", "names": [ "(4r,5r,6r)-4-hydroxy-5-(12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-2,3-dimethoxy-6-methylcyclohex-2-en-1-one", "Antroquinonol V" ], "molecular_formula": "C24H38O5", "smiles": "COC1=C(OC)[C@H](O)[C@H](CC=C(C)CCC=C(C)CCC=C(C)CO)[C@@H](C)C1=O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0115779", "npaid": "NPA022423" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "CDFHJGSGTIXSQV-XAPVIXHLSA-N": { "inchikey": "CDFHJGSGTIXSQV-XAPVIXHLSA-N", "inchikey2D": "CDFHJGSGTIXSQV", "names": [ "(4r,5r,6r)-5-[(9s)-9,12-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-4-hydroxy-2,3-dimethoxy-6-methylcyclohex-2-en-1-one", "Antroquinonol P" ], "molecular_formula": "C24H38O6", "smiles": "COC1=C(OC)[C@H](O)[C@H](CC=C(C)CCC=C(C)C[C@H](O)C=C(C)CO)[C@@H](C)C1=O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0108047", "npaid": "NPA022426" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "AGUVEQLHXOYHEK-UHFFFAOYSA-N": { "inchikey": "AGUVEQLHXOYHEK-UHFFFAOYSA-N", "inchikey2D": "AGUVEQLHXOYHEK", "names": [ "2-(4,8-dimethylnona-3,7-dien-1-yl)-7-methoxy-2,5-dimethylchromen-6-ol" ], "molecular_formula": "C23H32O3", "smiles": "COc1cc2c(c(C)c1O)C=CC(C)(CCC=C(C)CCC=C(C)C)O2", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0175825" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "AWLJZFUREZNLGG-UHFFFAOYSA-N": { "inchikey": "AWLJZFUREZNLGG-UHFFFAOYSA-N", "inchikey2D": "AWLJZFUREZNLGG", "names": [ "3,6-bis(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-ol" ], "molecular_formula": "C20H18O7", "smiles": "OC1OC(c2ccc3c(c2)OCO3)C2COC(c3ccc4c(c3)OCO4)C12", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0115935" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "UZWGAKUWSJOJSJ-UHFFFAOYSA-N": { "inchikey": "UZWGAKUWSJOJSJ-UHFFFAOYSA-N", "inchikey2D": "UZWGAKUWSJOJSJ", "names": [ "Antrocinnamomin A", "antrocinnamomin a" ], "molecular_formula": "C21H25NO5", "smiles": "CC(=O)ON1C(=O)C(CC(C)C)=C(c2ccc(OCC=C(C)C)cc2)C1=O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0194338", "npaid": "NPA019549" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "RVMGSWNUEGVDOF-UHFFFAOYSA-N": { "inchikey": "RVMGSWNUEGVDOF-UHFFFAOYSA-N", "inchikey2D": "RVMGSWNUEGVDOF", "names": [ "1-hydroxy-3-[3-hydroxy-4-(2-methylbut-3-en-2-yl)phenyl]-4-(2-methylpropyl)pyrrole-2,5-dione", "Antrocinnamomin F" ], "molecular_formula": "C19H23NO4", "smiles": "C=CC(C)(C)c1ccc(C2=C(CC(C)C)C(=O)N(O)C2=O)cc1O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0037715", "npaid": "NPA008542" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "NBSWRIOONGUJTA-UGSOOPFHSA-N": { "inchikey": "NBSWRIOONGUJTA-UGSOOPFHSA-N", "inchikey2D": "NBSWRIOONGUJTA", "names": [ "(5s)-4-[(2s)-butan-2-yl]-5-hydroxy-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-5h-furan-2-one" ], "molecular_formula": "C19H24O4", "smiles": "CC[C@H](C)C1=C(c2ccc(OCC=C(C)C)cc2)C(=O)O[C@@H]1O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0076987" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "ZXIUCXGVUOQMSH-UHFFFAOYSA-N": { "inchikey": "ZXIUCXGVUOQMSH-UHFFFAOYSA-N", "inchikey2D": "ZXIUCXGVUOQMSH", "names": [ "3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]furan-2,5-dione", "3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-4-(2-methylpropyl)furan-2,5-dione" ], "molecular_formula": "C19H22O4", "smiles": "CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)OC2=O)cc1", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0247243", "npaid": "NPA016266" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "WALOFELUZXOXIJ-UHFFFAOYSA-N": { "inchikey": "WALOFELUZXOXIJ-UHFFFAOYSA-N", "inchikey2D": "WALOFELUZXOXIJ", "names": [ "Antrocinnamomin D", "antrocinnamomin d" ], "molecular_formula": "C19H24O4", "smiles": "CC(C)=CCOc1ccc(C2=C(CC(C)C)C(O)OC2=O)cc1", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0193640", "npaid": "NPA013633" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "ZPSJWLSADLCKBZ-UHFFFAOYSA-N": { "inchikey": "ZPSJWLSADLCKBZ-UHFFFAOYSA-N", "inchikey2D": "ZPSJWLSADLCKBZ", "names": [ "6-{4-hydroxy-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C29H40O5", "smiles": "C=C(CCC(C)C1CC=C2C3=C(C(=O)CC21C)C1(C)CCC(=O)C(C)C1CC3O)C(C)C(=O)O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0221183" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "MQJJTTDUYLCOJW-NQRVTCLYSA-N": { "inchikey": "MQJJTTDUYLCOJW-NQRVTCLYSA-N", "inchikey2D": "MQJJTTDUYLCOJW", "names": [ "(1r,5r,6r)-6-[(9s)-9,12-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2,3-dimethoxy-5-methyl-4-oxocyclohex-2-en-1-yl acetate", "Antroquinonol Q" ], "molecular_formula": "C26H40O7", "smiles": "COC1=C(OC)[C@H](OC(C)=O)[C@H](CC=C(C)CCC=C(C)C[C@H](O)C=C(C)CO)[C@@H](C)C1=O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0218362", "npaid": "NPA022427" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "BVEGUQASCBYJEZ-UHFFFAOYSA-N": { "inchikey": "BVEGUQASCBYJEZ-UHFFFAOYSA-N", "inchikey2D": "BVEGUQASCBYJEZ", "names": [ "7',17',20'-trihydroxy-1',3,4,6',6',10',17',21'-octamethyl-14'-oxaspiro[furan-2,15'-pentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicosane]-2',11'-diene-5,8'-dione" ], "molecular_formula": "C31H42O7", "smiles": "CC1=C(C)C2(CC(C)(O)C3CC(O)C4(C)C5=CCC6C(C)(CC(=O)C(O)C6(C)C)C5=CC(O2)C34C)OC1=O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0231701" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "RMUGCYNOXFBOIJ-GYXSNACCSA-N": { "inchikey": "RMUGCYNOXFBOIJ-GYXSNACCSA-N", "inchikey2D": "RMUGCYNOXFBOIJ", "names": [ "(1r,5r,6r)-2,3-dimethoxy-5-methyl-4-oxo-6-[(9r,11r)-9,12,12-trihydroxy-3,7,11-trimethyldodeca-2,6-dien-1-yl]cyclohex-2-en-1-yl acetate", "Antroquinonol T" ], "molecular_formula": "C26H42O8", "smiles": "COC1=C(OC)[C@H](OC(C)=O)[C@H](CC=C(C)CCC=C(C)C[C@H](O)C[C@@H](C)C(O)O)[C@@H](C)C1=O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0215615", "npaid": "NPA022430" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "FGNQCSVHEUANOF-UGPPNHOWSA-N": { "inchikey": "FGNQCSVHEUANOF-UGPPNHOWSA-N", "inchikey2D": "FGNQCSVHEUANOF", "names": [ "2-[(2e,6e,9s)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione", "Antroquinonol N" ], "molecular_formula": "C24H34O5", "smiles": "COC1=C(OC)C(=O)C(C/C=C(\\C)CC/C=C(\\C)C[C@H](O)C=C(C)C)=C(C)C1=O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0076924", "npaid": "NPA022424" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "JVQOVXPSHOWVQH-UHFFFAOYSA-N": { "inchikey": "JVQOVXPSHOWVQH-UHFFFAOYSA-N", "inchikey2D": "JVQOVXPSHOWVQH", "names": [ "methyl 6-{6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptanoate" ], "molecular_formula": "C30H44O4", "smiles": "C=C(CCC(C)C1CCC2C3=C(C(=O)CC21C)C1(C)CCC(=O)C(C)C1CC3)C(C)C(=O)OC", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0227177" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "BISKIPFYEROROF-MHTWAQMVSA-N": { "inchikey": "BISKIPFYEROROF-MHTWAQMVSA-N", "inchikey2D": "BISKIPFYEROROF", "names": [ "(4r,5r,6r)-5-[(9s)-9,12-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-4-hydroxy-2-methoxy-6-methylcyclohex-2-en-1-one", "Antroquinonol O" ], "molecular_formula": "C23H36O5", "smiles": "COC1=C[C@H](O)[C@H](CC=C(C)CCC=C(C)C[C@H](O)C=C(C)CO)[C@@H](C)C1=O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0209383", "npaid": "NPA022425" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "XJLZCPIILZRCPS-VAPIERHISA-N": { "inchikey": "XJLZCPIILZRCPS-VAPIERHISA-N", "inchikey2D": "XJLZCPIILZRCPS", "names": [ "(1r,3as,5ar,7s,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C31H52O", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0210772" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "DVORYMAGXQGBQK-TWZGHLFOSA-N": { "inchikey": "DVORYMAGXQGBQK-TWZGHLFOSA-N", "inchikey2D": "DVORYMAGXQGBQK", "names": [ "(6r)-6-[(6s)-6,9a,11a-trimethyl-4,7,10-trioxo-1h,2h,3h,3ah,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid", "Zhankuic acid A" ], "molecular_formula": "C29H40O5", "smiles": "C=C(CC[C@@H](C)C1CCC2C3=C(C(=O)CC21C)C1(C)CCC(=O)[C@@H](C)C1CC3=O)C(C)C(=O)O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0075772", "npaid": "NPA018664" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "RJXJHEYXZURDJH-UHFFFAOYSA-N": { "inchikey": "RJXJHEYXZURDJH-UHFFFAOYSA-N", "inchikey2D": "RJXJHEYXZURDJH", "names": [ "4,7-dimethoxy-5-methyl-2h-1,3-benzodioxole", "4,7-dimethoxy-5-methyl-l,3- benzodioxole" ], "molecular_formula": "C10H12O4", "smiles": "COc1cc(C)c(OC)c2c1OCO2", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0218926", "npaid": "NPA009708" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "MQJJTTDUYLCOJW-UHFFFAOYSA-N": { "inchikey": "MQJJTTDUYLCOJW-UHFFFAOYSA-N", "inchikey2D": "MQJJTTDUYLCOJW", "names": [ "6-(9,12-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-2,3-dimethoxy-5-methyl-4-oxocyclohex-2-en-1-yl acetate" ], "molecular_formula": "C26H40O7", "smiles": "COC1=C(OC)C(OC(C)=O)C(CC=C(C)CCC=C(C)CC(O)C=C(C)CO)C(C)C1=O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0263814" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "FJGYSGJBIYTUFG-UHFFFAOYSA-N": { "inchikey": "FJGYSGJBIYTUFG-UHFFFAOYSA-N", "inchikey2D": "FJGYSGJBIYTUFG", "names": [ "Antrocinnamomin C", "antrocinnamomin c" ], "molecular_formula": "C14H14O4", "smiles": "CC(C)CC1=C(c2ccc(O)cc2)C(=O)OC1=O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0022387", "npaid": "NPA019472" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "ZUKZELAIKKOIBV-UHFFFAOYSA-N": { "inchikey": "ZUKZELAIKKOIBV-UHFFFAOYSA-N", "inchikey2D": "ZUKZELAIKKOIBV", "names": [ "4-hydroxy-5-(12-hydroxy-3,7,11-trimethyldodeca-2,6-dien-1-yl)-2,3-dimethoxy-6-methylcyclohex-2-en-1-one" ], "molecular_formula": "C24H40O5", "smiles": "COC1=C(OC)C(O)C(CC=C(C)CCC=C(C)CCCC(C)CO)C(C)C1=O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0044812" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "ZEXGDMONMBETSX-YIQUKEMISA-N": { "inchikey": "ZEXGDMONMBETSX-YIQUKEMISA-N", "inchikey2D": "ZEXGDMONMBETSX", "names": [ "(2r,6r)-6-[(1r,3as,5ar,6s,9as,11ar)-3a-hydroxy-6,9a,11a-trimethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C29H40O6", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(O)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3=O)[C@@H](C)C(=O)O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0027604" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "DVORYMAGXQGBQK-UHFFFAOYSA-N": { "inchikey": "DVORYMAGXQGBQK-UHFFFAOYSA-N", "inchikey2D": "DVORYMAGXQGBQK", "names": [ "6-{6,9a,11a-trimethyl-4,7,10-trioxo-1h,2h,3h,3ah,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C29H40O5", "smiles": "C=C(CCC(C)C1CCC2C3=C(C(=O)CC21C)C1(C)CCC(=O)C(C)C1CC3=O)C(C)C(=O)O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0156681" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "PEYUIKBAABKQKQ-UHFFFAOYSA-N": { "inchikey": "PEYUIKBAABKQKQ-UHFFFAOYSA-N", "inchikey2D": "PEYUIKBAABKQKQ", "names": [ "sesamin" ], "molecular_formula": "C20H18O6", "smiles": "c1cc2c(cc1C1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0228898" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "SDYJYMBMSYYZIC-UHFFFAOYSA-N": { "inchikey": "SDYJYMBMSYYZIC-UHFFFAOYSA-N", "inchikey2D": "SDYJYMBMSYYZIC", "names": [ "7,7-dimethyl-4-methylidene-octahydronaphtho[4,4a-c]furan-1-one" ], "molecular_formula": "C15H22O2", "smiles": "C=C1CCC2C(C)(C)CCCC23C(=O)OCC13", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0161493" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "TWISSXUWVGIUBP-IRXLFGEOSA-N": { "inchikey": "TWISSXUWVGIUBP-IRXLFGEOSA-N", "inchikey2D": "TWISSXUWVGIUBP", "names": [ "antcin c" ], "molecular_formula": "C29H42O5", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@@H]3O)[C@H](C)C(=O)O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0145381" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "FBARMPCBQPKRTR-QMMMGPOBSA-N": { "inchikey": "FBARMPCBQPKRTR-QMMMGPOBSA-N", "inchikey2D": "FBARMPCBQPKRTR", "names": [ "3-[(2s)-butan-2-yl]-1-hydroxy-4-(4-hydroxyphenyl)pyrrole-2,5-dione" ], "molecular_formula": "C14H15NO4", "smiles": "CC[C@H](C)C1=C(c2ccc(O)cc2)C(=O)N(O)C1=O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0170856" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "SHQZDCYRLJKEPG-UHFFFAOYSA-N": { "inchikey": "SHQZDCYRLJKEPG-UHFFFAOYSA-N", "inchikey2D": "SHQZDCYRLJKEPG", "names": [ "Antrocinnamomin H", "methyl 2-hydroxy-3-{4-[5-hydroxy-4-(2-methylpropyl)-2-oxopyrrol-3-yl]phenoxy}butanoate" ], "molecular_formula": "C19H23NO6", "smiles": "COC(=O)C(O)C(C)Oc1ccc(C2=C(CC(C)C)C(O)=NC2=O)cc1", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0227466", "npaid": "NPA016345" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "TXEJUZMIQVTZHO-JNXQNPAGSA-N": { "inchikey": "TXEJUZMIQVTZHO-JNXQNPAGSA-N", "inchikey2D": "TXEJUZMIQVTZHO", "names": [ "zhankuic acid b" ], "molecular_formula": "C29H42O5", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@@H]1CC3=O)C(C)C(=O)O", "species": [ 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"C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3)[C@H](C)C(=O)O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0192655" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "ZEXGDMONMBETSX-KFMVYKGZSA-N": { "inchikey": "ZEXGDMONMBETSX-KFMVYKGZSA-N", "inchikey2D": "ZEXGDMONMBETSX", "names": [ "(6r)-6-[(1r,3as,6s,9as,11ar)-3a-hydroxy-6,9a,11a-trimethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C29H40O6", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(O)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)C1CC3=O)C(C)C(=O)O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0051008" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "JOEWLISCLVBNAR-UHFFFAOYSA-N": { "inchikey": "JOEWLISCLVBNAR-UHFFFAOYSA-N", 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"GREY:Antrodia" ] }, "ZEXGDMONMBETSX-UHFFFAOYSA-N": { "inchikey": "ZEXGDMONMBETSX-UHFFFAOYSA-N", "inchikey2D": "ZEXGDMONMBETSX", "names": [ "6-{3a-hydroxy-6,9a,11a-trimethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C29H40O6", "smiles": "C=C(CCC(C)C1CCC2(O)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)C1CC3=O)C(C)C(=O)O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0268023" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "LVFHKUZOQUATIE-PDAPTWHDSA-N": { "inchikey": "LVFHKUZOQUATIE-PDAPTWHDSA-N", "inchikey2D": "LVFHKUZOQUATIE", "names": [ "(6r)-6-[(6s,7r,11r)-7,11-dihydroxy-6,9a,11a-trimethyl-4,10-dioxo-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid", "Zhankuic acid C" ], "molecular_formula": "C29H42O6", "smiles": "C=C(CC[C@@H](C)C1CCC2C3=C(C(=O)[C@H](O)C21C)C1(C)CC[C@@H](O)[C@@H](C)C1CC3=O)C(C)C(=O)O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0064917", "npaid": "NPA003123" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "FHZXTBYGLVPEAT-UHFFFAOYSA-N": { "inchikey": "FHZXTBYGLVPEAT-UHFFFAOYSA-N", "inchikey2D": "FHZXTBYGLVPEAT", "names": [ "5-[8-(2-hydroxy-4-methoxy-6-methyl-5-oxocyclohex-3-en-1-yl)-2,6-dimethylocta-2,6-dien-1-yl]-3-methyloxolan-2-one" ], "molecular_formula": "C23H34O5", "smiles": "COC1=CC(O)C(CC=C(C)CCC=C(C)CC2CC(C)C(=O)O2)C(C)C1=O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0001518" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "ZPSJWLSADLCKBZ-UGBDMSRZSA-N": { "inchikey": "ZPSJWLSADLCKBZ-UGBDMSRZSA-N", "inchikey2D": "ZPSJWLSADLCKBZ", 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"toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "LVFHKUZOQUATIE-UHFFFAOYSA-N": { "inchikey": "LVFHKUZOQUATIE-UHFFFAOYSA-N", "inchikey2D": "LVFHKUZOQUATIE", "names": [ "6-{7,11-dihydroxy-6,9a,11a-trimethyl-4,10-dioxo-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C29H42O6", "smiles": "C=C(CCC(C)C1CCC2C3=C(C(=O)C(O)C21C)C1(C)CCC(O)C(C)C1CC3=O)C(C)C(=O)O", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0013911" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "DVORYMAGXQGBQK-HPRYJKPLSA-N": { "inchikey": "DVORYMAGXQGBQK-HPRYJKPLSA-N", "inchikey2D": "DVORYMAGXQGBQK", "names": [ "(2s,6r)-6-[(1r,3ar,5as,6s,9as,11ar)-6,9a,11a-trimethyl-4,7,10-trioxo-1h,2h,3h,3ah,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid", "Antcamphin I" ], "molecular_formula": "C29H40O5", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O)[C@H](C)C(=O)O", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0030164", "npaid": "NPA007574" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "AWLJZFUREZNLGG-RXABKWRFSA-N": { "inchikey": "AWLJZFUREZNLGG-RXABKWRFSA-N", "inchikey2D": "AWLJZFUREZNLGG", "names": [ "(3r,3as,6r,6ar)-3,6-bis(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-ol" ], "molecular_formula": "C20H18O7", "smiles": "OC1O[C@@H](c2ccc3c(c2)OCO3)[C@@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@H]12", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0021522" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "OQSIHFQGHSHRHF-SLKUILBDSA-N": { "inchikey": "OQSIHFQGHSHRHF-SLKUILBDSA-N", "inchikey2D": 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"COc1c(C)c(-c2c(C)c(OC)c3c(c2OC)OCO3)c(OC)c2c1OCO2", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0248970", "npaid": "NPA004182" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "HXCVVFMNGAPNJL-UHFFFAOYSA-N": { "inchikey": "HXCVVFMNGAPNJL-UHFFFAOYSA-N", "inchikey2D": "HXCVVFMNGAPNJL", "names": [ "Antrocinnamomin G", "methyl 2-hydroxy-3-{4-[5-hydroxy-4-(2-methylpropyl)-2-oxopyrrol-3-yl]phenoxy}propanoate" ], "molecular_formula": "C18H21NO6", "smiles": "COC(=O)C(O)COc1ccc(C2=C(CC(C)C)C(O)=NC2=O)cc1", "species": [ "[npatlas-query] Antrodia", "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0244598", "npaid": "NPA013384" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "GREY:Antrodia" ] }, "XDRFZKIBQDVXQH-MGPWTPMBSA-N": { "inchikey": "XDRFZKIBQDVXQH-MGPWTPMBSA-N", 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"[query-hint] Wolfiporia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0225846" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia", "INCLUDE:Wolfiporia==Wolfiporia" ] }, "PEYUIKBAABKQKQ-AFHBHXEDSA-N": { "inchikey": "PEYUIKBAABKQKQ-AFHBHXEDSA-N", "inchikey2D": "PEYUIKBAABKQKQ", "names": [ "sesamin" ], "molecular_formula": "C20H18O6", "smiles": "c1cc2c(cc1[C@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2", "species": [ "[query-hint] Antrodia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0120161" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Antrodia" ] }, "QAHRSPAZSGMZMT-UHFFFAOYSA-N": { "inchikey": "QAHRSPAZSGMZMT-UHFFFAOYSA-N", "inchikey2D": "QAHRSPAZSGMZMT", "names": [ "Isoaurasperone A", "aurasperone a" ], "molecular_formula": "C32H26O10", "smiles": "COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc5oc(C)cc(=O)c5c(O)c4c3OC)c2c1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus 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"[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense", "[query-hint] Grifola", "[query-hint] Hypholoma", "[query-hint] Lactarius", "[query-hint] Ophiocordyceps", "[query-hint] Penicillium chrysogenum", "[query-hint] Pleurotus", "[query-hint] Pleurotus eryngii", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0211330" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FKCYENFBFZUSDP-OAHLLOKOSA-N": { "inchikey": "FKCYENFBFZUSDP-OAHLLOKOSA-N", "inchikey2D": "FKCYENFBFZUSDP", "names": [ "(2r)-2,5,8-trihydroxy-6-methoxy-2-methyl-3h-naphtho[2,3-b]pyran-4-one" ], "molecular_formula": "C15H14O6", "smiles": "COc1cc(O)cc2cc3c(c(O)c12)C(=O)C[C@](C)(O)O3", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0037474" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "XQLGSHUQZMPBGG-JGCGQSQUSA-N": { "inchikey": "XQLGSHUQZMPBGG-JGCGQSQUSA-N", "inchikey2D": "XQLGSHUQZMPBGG", "names": [ "(2r)-2,5-dihydroxy-7-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl}-6,8-dimethoxy-2-methyl-3h-naphtho[2,3-b]pyran-4-one" ], "molecular_formula": "C32H28O11", "smiles": "COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc5c(c(O)c4c3OC)C(=O)C[C@](C)(O)O5)c2c1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0018671" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "WNAATGJTLYDMRY-UHFFFAOYSA-N": { "inchikey": "WNAATGJTLYDMRY-UHFFFAOYSA-N", "inchikey2D": "WNAATGJTLYDMRY", "names": [ "demethylkotanin" ], "molecular_formula": "C23H20O8", "smiles": "COc1cc(C)c2c(OC)cc(=O)oc2c1-c1c(O)cc(C)c2c(OC)cc(=O)oc12", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0116629" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "HFPQKJMLIONCGP-UHFFFAOYSA-N": { "inchikey": "HFPQKJMLIONCGP-UHFFFAOYSA-N", "inchikey2D": "HFPQKJMLIONCGP", "names": [ "heminigerone" ], "molecular_formula": "C16H14O5", "smiles": "COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3cc2c1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0184748" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "XQLGSHUQZMPBGG-UHFFFAOYSA-N": { "inchikey": "XQLGSHUQZMPBGG-UHFFFAOYSA-N", "inchikey2D": "XQLGSHUQZMPBGG", "names": [ "aurasperone e" ], "molecular_formula": "C32H28O11", "smiles": "COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc5c(c(O)c4c3OC)C(=O)CC(C)(O)O5)c2c1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0024969" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "ZYTKFYQKQVYVMW-MRXNPFEDSA-N": { "inchikey": "ZYTKFYQKQVYVMW-MRXNPFEDSA-N", "inchikey2D": "ZYTKFYQKQVYVMW", "names": [ "(2r)-2,5-dihydroxy-6,8-dimethoxy-2-methyl-3h-naphtho[2,3-b]pyran-4-one" ], "molecular_formula": "C16H16O6", "smiles": "COc1cc(OC)c2c(O)c3c(cc2c1)O[C@@](C)(O)CC3=O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0051833" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "KLKFLNXANXGSIT-UHFFFAOYSA-N": { "inchikey": "KLKFLNXANXGSIT-UHFFFAOYSA-N", "inchikey2D": "KLKFLNXANXGSIT", "names": [ "5,8-dihydroxy-6-methoxy-2-methylbenzo[g]chromen-4-one" ], "molecular_formula": "C15H12O5", "smiles": "COc1cc(O)cc2cc3oc(C)cc(=O)c3c(O)c12", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0033185" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "ZFDAUYPBCXMSBF-UHFFFAOYSA-N": { "inchikey": "ZFDAUYPBCXMSBF-UHFFFAOYSA-N", "inchikey2D": "ZFDAUYPBCXMSBF", "names": [ "n-(3-{3,6,9,12,15,18-hexahydroxy-14,17-bis[3-(n-hydroxyacetamido)propyl]-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl}propyl)-n-hydroxyacetamide" ], "molecular_formula": "C27H45N9O12", "smiles": "CC(=O)N(O)CCCC1N=C(O)CN=C(O)CN=C(O)CN=C(O)C(CCCN(O)C(C)=O)N=C(O)C(CCCN(O)C(C)=O)N=C1O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0148035" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "HVAVVMZBLGYKBB-SDBMDCLLSA-N": { "inchikey": "HVAVVMZBLGYKBB-SDBMDCLLSA-N", "inchikey2D": "HVAVVMZBLGYKBB", "names": [ "(3s,5r,6r)-3,5-dimethyl-6-[(2e,6r)-6-methyl-7-oxooct-2-en-2-yl]oxan-2-one" ], "molecular_formula": "C16H26O3", "smiles": "CC(=O)[C@H](C)CC/C=C(\\C)[C@@H]1OC(=O)[C@@H](C)C[C@H]1C", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0038689" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "RNCGDQLZIATDOU-ZDRBWGSPSA-N": { "inchikey": "RNCGDQLZIATDOU-ZDRBWGSPSA-N", "inchikey2D": "RNCGDQLZIATDOU", "names": [ "(1s,4s,7r,10s,13s)-4-[(2s)-butan-2-yl]-10-isopropyl-7-(2-methylpropyl)-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaene-3,6,9,12,18-pentol", "Malformin A1" ], "molecular_formula": "C23H39N5O5S2", "smiles": "CC[C@H](C)[C@@H]1N=C(O)[C@@H](CC(C)C)N=C(O)[C@H](C(C)C)N=C(O)[C@H]2CSSC[C@@H](N=C1O)C(O)=N2", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0274895", "npaid": "NPA019613" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "HVAVVMZBLGYKBB-UHFFFAOYSA-N": { "inchikey": "HVAVVMZBLGYKBB-UHFFFAOYSA-N", "inchikey2D": "HVAVVMZBLGYKBB", "names": [ "3,5-dimethyl-6-(6-methyl-7-oxooct-2-en-2-yl)oxan-2-one" ], "molecular_formula": "C16H26O3", "smiles": "CC(=O)C(C)CCC=C(C)C1OC(=O)C(C)CC1C", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0202303" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "FLGYNQVOEVEMEJ-AKIVERQWSA-N": { "inchikey": "FLGYNQVOEVEMEJ-AKIVERQWSA-N", "inchikey2D": "FLGYNQVOEVEMEJ", "names": [ "(2r,4r,5e)-6-[(2s,5s)-5-[(1s)-1-hydroxyethyl]-2,5-dimethyloxolan-2-yl]-2,4-dimethylhept-5-enoic acid" ], "molecular_formula": "C17H30O4", "smiles": "C/C(=C\\[C@H](C)C[C@@H](C)C(=O)O)[C@]1(C)CC[C@@](C)([C@H](C)O)O1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0122113" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "RKYHJRSSOFOYEO-UHFFFAOYSA-N": { "inchikey": "RKYHJRSSOFOYEO-UHFFFAOYSA-N", "inchikey2D": "RKYHJRSSOFOYEO", "names": [ "2-(4-hydroxyphenyl)ethyl 2-(2-hydroxyphenyl)acetate" ], "molecular_formula": "C16H16O4", "smiles": "O=C(Cc1ccccc1O)OCCc1ccc(O)cc1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0230663" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "BVBSGGBDFJUSIH-UHFFFAOYSA-N": { "inchikey": "BVBSGGBDFJUSIH-UHFFFAOYSA-N", "inchikey2D": "BVBSGGBDFJUSIH", "names": [ "methyl 2-(2-hydroxyphenyl)acetate" ], "molecular_formula": "C9H10O3", "smiles": "COC(=O)Cc1ccccc1O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0102352" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "BWCQRIGHZTXFEA-UHFFFAOYSA-N": { "inchikey": "BWCQRIGHZTXFEA-UHFFFAOYSA-N", "inchikey2D": "BWCQRIGHZTXFEA", "names": [ "4,4a-dimethyl-13b-(4-methylpent-3-en-1-yl)-1h,2h,3h,4h,5h,6h,8h-naphtho[2,1-b]carbazol-1-ol" ], "molecular_formula": "C28H35NO", "smiles": "CC(C)=CCCC12c3cc4c(cc3CCC1(C)C(C)CCC2O)[nH]c1ccccc14", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0250285" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "BWCQRIGHZTXFEA-ZIUOXXBISA-N": { "inchikey": "BWCQRIGHZTXFEA-ZIUOXXBISA-N", "inchikey2D": "BWCQRIGHZTXFEA", "names": [ "(1r,4s,4ar,13bs)-4,4a-dimethyl-13b-(4-methylpent-3-en-1-yl)-1h,2h,3h,4h,5h,6h,8h-naphtho[2,1-b]carbazol-1-ol" ], "molecular_formula": "C28H35NO", "smiles": "CC(C)=CCC[C@@]12c3cc4c(cc3CC[C@]1(C)[C@@H](C)CC[C@H]2O)[nH]c1ccccc14", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0063120" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "NOVMMJPPPKMRRL-UHFFFAOYSA-N": { "inchikey": "NOVMMJPPPKMRRL-UHFFFAOYSA-N", "inchikey2D": "NOVMMJPPPKMRRL", "names": [ "2-(4-hydroxyphenyl)ethyl 2-(4-hydroxyphenyl)acetate", "4-Hydroxyphenethyl 2-(4-hydroxyphenyl)acetate" ], "molecular_formula": "C16H16O4", "smiles": "O=C(Cc1ccc(O)cc1)OCCc1ccc(O)cc1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0066981", "npaid": "NPA014830" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "XZZGTSQLYYUXTL-UHFFFAOYSA-N": { "inchikey": "XZZGTSQLYYUXTL-UHFFFAOYSA-N", "inchikey2D": "XZZGTSQLYYUXTL", "names": [ "10-{5,8-dihydroxy-10-methoxy-2-methyl-4-oxobenzo[h]chromen-9-yl}-5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one" ], "molecular_formula": "C31H24O10", "smiles": "COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(O)cc4cc(O)c5c(=O)cc(C)oc5c4c3OC)c2c1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0223744" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "XGDZEDRBLVIUMX-UHFFFAOYSA-N": { "inchikey": "XGDZEDRBLVIUMX-UHFFFAOYSA-N", "inchikey2D": "XGDZEDRBLVIUMX", "names": [ "methyl 2-(4-hydroxyphenyl)acetate" ], "molecular_formula": "C9H10O3", "smiles": "COC(=O)Cc1ccc(O)cc1", "species": [ "[query-hint] Aspergillus niger", "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0223890" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "QAPJKCNKHLDDAK-UHFFFAOYSA-N": { "inchikey": "QAPJKCNKHLDDAK-UHFFFAOYSA-N", "inchikey2D": "QAPJKCNKHLDDAK", "names": [ "funalenone" ], "molecular_formula": "C15H12O6", "smiles": "COC1=C(O)c2c(O)cc(C)c3c(O)cc(O)c(c23)C1=O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0224346" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "HKMDCNSGDQBQLI-SECBINFHSA-N": { "inchikey": "HKMDCNSGDQBQLI-SECBINFHSA-N", "inchikey2D": "HKMDCNSGDQBQLI", "names": [ "(2r)-2-hexyl-3-methylidenebutanedioic acid" ], "molecular_formula": "C11H18O4", "smiles": "C=C(C(=O)O)[C@@H](CCCCCC)C(=O)O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0235946" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "GVWQBZIXBIYWTJ-UHFFFAOYSA-N": { "inchikey": "GVWQBZIXBIYWTJ-UHFFFAOYSA-N", "inchikey2D": "GVWQBZIXBIYWTJ", "names": [ "10-{5,8-dihydroxy-2,10-dimethoxy-4-oxobenzo[h]chromen-9-yl}-5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one" ], "molecular_formula": "C31H24O11", "smiles": "COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(O)cc4cc(O)c5c(=O)cc(OC)oc5c4c3OC)c2c1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0234322" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "OIMXTYUHMBQQJM-UHFFFAOYSA-N": { "inchikey": "OIMXTYUHMBQQJM-UHFFFAOYSA-N", "inchikey2D": "OIMXTYUHMBQQJM", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C28H40O", "smiles": "CC(C)C(C)C=CC(C)C1CCC2=C3C=CC4=CC(=O)CCC4(C)C3CCC21C", "species": [ "[query-hint] Aspergillus niger", "[query-hint] Cordyceps sinensis", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Grifola", "[query-hint] Ophiocordyceps", "[query-hint] Penicillium chrysogenum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0203677" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OIMXTYUHMBQQJM-HSVWHVBGSA-N": { "inchikey": "OIMXTYUHMBQQJM-HSVWHVBGSA-N", "inchikey2D": "OIMXTYUHMBQQJM", "names": [ "(1r,9ar,9br,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C28H40O", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Aspergillus niger", "[query-hint] Cordyceps sinensis", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Grifola", "[query-hint] Ophiocordyceps", "[query-hint] Penicillium chrysogenum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0068540" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RNCGDQLZIATDOU-UHFFFAOYSA-N": { "inchikey": "RNCGDQLZIATDOU-UHFFFAOYSA-N", "inchikey2D": "RNCGDQLZIATDOU", "names": [ "10-isopropyl-7-(2-methylpropyl)-4-(sec-butyl)-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaene-3,6,9,12,18-pentol" ], "molecular_formula": "C23H39N5O5S2", "smiles": "CCC(C)C1N=C(O)C(CC(C)C)N=C(O)C(C(C)C)N=C(O)C2CSSCC(N=C1O)C(O)=N2", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0067621" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "FLGYNQVOEVEMEJ-UHFFFAOYSA-N": { "inchikey": "FLGYNQVOEVEMEJ-UHFFFAOYSA-N", "inchikey2D": "FLGYNQVOEVEMEJ", "names": [ "6-[5-(1-hydroxyethyl)-2,5-dimethyloxolan-2-yl]-2,4-dimethylhept-5-enoic acid" ], "molecular_formula": "C17H30O4", "smiles": "CC(=CC(C)CC(C)C(=O)O)C1(C)CCC(C)(C(C)O)O1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0130890" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "HKMDCNSGDQBQLI-UHFFFAOYSA-N": { "inchikey": "HKMDCNSGDQBQLI-UHFFFAOYSA-N", "inchikey2D": "HKMDCNSGDQBQLI", "names": [ "2-hexyl-3-methylidenebutanedioic acid" ], "molecular_formula": "C11H18O4", "smiles": "C=C(C(=O)O)C(CCCCCC)C(=O)O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0019801" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "PPBRXRYQALVLMV-UHFFFAOYSA-N": { "inchikey": "PPBRXRYQALVLMV-UHFFFAOYSA-N", "inchikey2D": "PPBRXRYQALVLMV", "names": [ "Styrene", "styrene" ], "molecular_formula": "C8H8", "smiles": "C=Cc1ccccc1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0014014", "npaid": "NPA015288" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "NSAPXJZXVFHIHJ-UHFFFAOYSA-N": { "inchikey": "NSAPXJZXVFHIHJ-UHFFFAOYSA-N", "inchikey2D": "NSAPXJZXVFHIHJ", "names": [ "4,5-dihydroxy-10-methoxy-2-methylcyclohexa[h]chromen-8-one", "TMC-256C1" ], "molecular_formula": "C15H12O5", "smiles": "COc1cc(=O)cc2cc(O)c3c(O)cc(C)oc3c12", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0072465", "npaid": "NPA011267" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "RWCLCTYWAIRJIL-GSVOUGTGSA-N": { "inchikey": "RWCLCTYWAIRJIL-GSVOUGTGSA-N", "inchikey2D": "RWCLCTYWAIRJIL", "names": [ "(2r)-2-hydroxy-3-methylidenecyclopropan-1-one" ], "molecular_formula": "C4H4O2", "smiles": "C=C1C(=O)[C@@H]1O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0019885" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "NBPJTZQIOVMOFS-UHFFFAOYSA-N": { "inchikey": "NBPJTZQIOVMOFS-UHFFFAOYSA-N", "inchikey2D": "NBPJTZQIOVMOFS", "names": [ "5'-methylidene-4,5-dihydro-3h-[2,3'-bioxolylidene]-2',4'-dione" ], "molecular_formula": "C9H8O4", "smiles": "C=C1OC(=O)C(=C2CCCO2)C1=O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0165120" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "LMPLCDBTXJVFFT-UHFFFAOYSA-N": { "inchikey": "LMPLCDBTXJVFFT-UHFFFAOYSA-N", "inchikey2D": "LMPLCDBTXJVFFT", "names": [ "5,8-dihydroxy-10-methoxy-2-methylbenzo[h]chromen-4-one" ], "molecular_formula": "C15H12O5", "smiles": "COc1cc(O)cc2cc(O)c3c(=O)cc(C)oc3c12", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0132462" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "BPQLYWBWGLXAIY-UHFFFAOYSA-N": { "inchikey": "BPQLYWBWGLXAIY-UHFFFAOYSA-N", "inchikey2D": "BPQLYWBWGLXAIY", "names": [ "4,5-dihydroxy-6-methoxy-2-methylcyclohexa[g]chromen-8-one", "TMC-256A1" ], "molecular_formula": "C15H12O5", "smiles": "COc1cc(=O)cc2cc3oc(C)cc(O)c3c(O)c12", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0058701", "npaid": "NPA010259" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "NBPJTZQIOVMOFS-VOTSOKGWSA-N": { "inchikey": "NBPJTZQIOVMOFS-VOTSOKGWSA-N", "inchikey2D": "NBPJTZQIOVMOFS", "names": [ "(e)-5'-methylidene-4,5-dihydro-3h-[2,3'-bioxolylidene]-2',4'-dione", "Dihydrocarolic acid" ], "molecular_formula": "C9H8O4", "smiles": "C=C1OC(=O)/C(=C2\\CCCO2)C1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0274389", "npaid": "NPA012446" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "RWCLCTYWAIRJIL-UHFFFAOYSA-N": { "inchikey": "RWCLCTYWAIRJIL-UHFFFAOYSA-N", "inchikey2D": "RWCLCTYWAIRJIL", "names": [ "2-hydroxy-3-methylidenecyclopropan-1-one", "Penitricin D" ], "molecular_formula": "C4H4O2", "smiles": "C=C1C(=O)C1O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0225882", "npaid": "NPA015715" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "KRKNYBCHXYNGOX-UHFFFAOYSA-N": { "inchikey": "KRKNYBCHXYNGOX-UHFFFAOYSA-N", "inchikey2D": "KRKNYBCHXYNGOX", "names": [ "citric acid" ], "molecular_formula": "C6H8O7", "smiles": "O=C(O)CC(O)(CC(=O)O)C(=O)O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0213921" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "YGKRJEXYSRSPEU-UHFFFAOYSA-N": { "inchikey": "YGKRJEXYSRSPEU-UHFFFAOYSA-N", "inchikey2D": "YGKRJEXYSRSPEU", "names": [ "1-(3,4-dihydro-2h-quinolin-1-yl)-2-{4-[2-(3,4-dihydro-2h-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl}ethanone", "Aspernigerin" ], "molecular_formula": "C26H32N4O2", "smiles": "O=C(CN1CCN(CC(=O)N2CCCc3ccccc32)CC1)N1CCCc2ccccc21", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0187259", "npaid": "NPA000667" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "NLLRTVRDMOKHDF-BKSOJIHSSA-N": { "inchikey": "NLLRTVRDMOKHDF-BKSOJIHSSA-N", "inchikey2D": "NLLRTVRDMOKHDF", "names": [ "Nigerapyrone H", "nigerapyrone h" ], "molecular_formula": "C20H20O3", "smiles": "COc1cc(/C=C\\C(C)=C\\C(C)=C\\c2ccccc2)oc(=O)c1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0130879", "npaid": "NPA000375" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "IOUNJEVHPQCKKE-UHFFFAOYSA-N": { "inchikey": "IOUNJEVHPQCKKE-UHFFFAOYSA-N", "inchikey2D": "IOUNJEVHPQCKKE", "names": [ "2-(8-methoxy-8-oxooctyl)-3-methylidenebutanedioic acid", "Tensyuic acid E" ], "molecular_formula": "C14H22O6", "smiles": "C=C(C(=O)O)C(CCCCCCCC(=O)OC)C(=O)O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0131384", "npaid": "NPA010064" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "TZODYIWCRGWHQB-CWQOZTLDSA-N": { "inchikey": "TZODYIWCRGWHQB-CWQOZTLDSA-N", "inchikey2D": "TZODYIWCRGWHQB", "names": [ "(1s,4r,7s,10r,13s)-10-isopropyl-4,7-bis(2-methylpropyl)-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaene-3,6,9,12,18-pentol" ], "molecular_formula": "C23H39N5O5S2", "smiles": "CC(C)C[C@@H]1N=C(O)[C@@H](C(C)C)N=C(O)[C@H]2CSSC[C@@H](N=C(O)[C@@H](CC(C)C)N=C1O)C(O)=N2", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0059243" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "JPEFGJBPMMMOHN-UHFFFAOYSA-N": { "inchikey": "JPEFGJBPMMMOHN-UHFFFAOYSA-N", "inchikey2D": "JPEFGJBPMMMOHN", "names": [ "n-{6-benzyl-1-[1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]-4-oxopyridine-3-carbonyl}-4-methoxy-3-methyl-4-oxobutanimidic acid" ], "molecular_formula": "C33H32N2O8", "smiles": "COC(=O)C(C)CC(O)=NC(=O)c1cn(C(Cc2ccccc2)c2cc(OC)cc(=O)o2)c(Cc2ccccc2)cc1=O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0112693" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "LSNAPVWIIXPAED-UHFFFAOYSA-N": { "inchikey": "LSNAPVWIIXPAED-UHFFFAOYSA-N", "inchikey2D": "LSNAPVWIIXPAED", "names": [ "13-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl 2-methylbut-2-enoate" ], "molecular_formula": "C30H32O10", "smiles": 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"(2z,4r,8s,9r,11r)-13-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2z)-2-methylbut-2-enoate" ], "molecular_formula": "C30H32O10", "smiles": "C=C1C(=O)O[C@@H]2/C=C(/CO)C3=C(Cc4c(O)c(C)cc(C(C)=O)c4O)C(=O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\\C)[C@H]12)O3", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0230820" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "KMNUJIARVHVQCF-SVCWYOIUSA-N": { "inchikey": "KMNUJIARVHVQCF-SVCWYOIUSA-N", "inchikey2D": "KMNUJIARVHVQCF", "names": [ "(4e,6e,8e,10e,12e)-8-methyl-13-phenyltrideca-4,6,8,10,12-pentaen-3-one", "Asperenone" ], "molecular_formula": "C20H22O", "smiles": "CCC(=O)/C=C/C=C/C(C)=C/C=C/C=C/c1ccccc1", "species": [ "[npatlas-query] Phellinus", "[query-hint] Aspergillus niger", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0069876", "npaid": "NPA013060" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Phellinus==Phellinus" ] }, "JYRSHQHBOCBIJL-UHFFFAOYSA-N": { "inchikey": "JYRSHQHBOCBIJL-UHFFFAOYSA-N", "inchikey2D": "JYRSHQHBOCBIJL", "names": [ "6-hydroxy-9-{6-hydroxy-4-isopropyl-3-oxo-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-9-yl}-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one" ], "molecular_formula": "C33H38N6O4", "smiles": "CC(C)CC1N=C(O)C2CC3(C45CC6C(O)=NC(C(C)C)C(=O)N6C4Nc4ccccc45)c4ccccc4NC3N2C1=O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0071855" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "ZLLURFBMQBIVMQ-QHCPKHFHSA-N": { "inchikey": "ZLLURFBMQBIVMQ-QHCPKHFHSA-N", "inchikey2D": "ZLLURFBMQBIVMQ", "names": [ "4-benzyl-1-[(1s)-1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]-6-oxopyridine-3-carboximidic acid" ], "molecular_formula": "C27H24N2O5", "smiles": "COc1cc([C@H](Cc2ccccc2)n2cc(C(=N)O)c(Cc3ccccc3)cc2=O)oc(=O)c1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0057072" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "MIGGJPIAMPJCES-NPUYYSGSSA-N": { "inchikey": "MIGGJPIAMPJCES-NPUYYSGSSA-N", "inchikey2D": "MIGGJPIAMPJCES", "names": [ "(2e)-3-phenyl-1-[(2r,5r)-2,4,5-trimethylpiperazin-1-yl]prop-2-en-1-one" ], "molecular_formula": "C16H22N2O", "smiles": "C[C@@H]1CN(C(=O)/C=C/c2ccccc2)[C@H](C)CN1C", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0076684" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "OLBQXBHLZOAVSV-MWWHFTBPSA-N": { "inchikey": "OLBQXBHLZOAVSV-MWWHFTBPSA-N", "inchikey2D": "OLBQXBHLZOAVSV", "names": [ "(2r,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6r)-2-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2s,3r,4s,5r,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol" ], "molecular_formula": "C24H42O21", "smiles": "OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@H](O[C@@H]4[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]4O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0224604" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "FTMZAUPTWYKXKM-UWVGGRQHSA-N": { "inchikey": "FTMZAUPTWYKXKM-UWVGGRQHSA-N", "inchikey2D": "FTMZAUPTWYKXKM", "names": [ "(3s,5s)-5-(3-acetyl-2,6-dihydroxyphenyl)-3-methoxyoxolan-2-one", "Antafumicin B" ], "molecular_formula": "C13H14O6", "smiles": "CO[C@H]1C[C@@H](c2c(O)ccc(C(C)=O)c2O)OC1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0094729", "npaid": "NPA003351" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "WCMUUYZSUQJWRX-LBPRGKRZSA-N": { "inchikey": "WCMUUYZSUQJWRX-LBPRGKRZSA-N", "inchikey2D": "WCMUUYZSUQJWRX", "names": [ "Campyrone C", "n-[(1s)-1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]ethanimidic acid" ], "molecular_formula": "C12H17NO4", "smiles": "COc1cc([C@@H](N=C(C)O)C(C)C)oc(=O)c1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0160699", "npaid": "NPA005614" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "CPVCVIXCXKPURM-QHCPKHFHSA-N": { "inchikey": "CPVCVIXCXKPURM-QHCPKHFHSA-N", "inchikey2D": "CPVCVIXCXKPURM", "names": [ "6-benzyl-1-[(1s)-1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]-4-oxopyridine-3-carboximidic acid", "Aspernigrin B" ], "molecular_formula": "C27H24N2O5", "smiles": "COc1cc([C@H](Cc2ccccc2)n2cc(C(=N)O)c(=O)cc2Cc2ccccc2)oc(=O)c1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0103253", "npaid": "NPA018322" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "KRQRRZFXHYYNSO-UHFFFAOYSA-N": { "inchikey": "KRQRRZFXHYYNSO-UHFFFAOYSA-N", "inchikey2D": "KRQRRZFXHYYNSO", "names": [ "4,10-diisopropyl-7-(2-methylpropyl)-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaene-3,6,9,12,18-pentol" ], "molecular_formula": "C22H37N5O5S2", "smiles": "CC(C)CC1N=C(O)C(C(C)C)N=C(O)C2CSSCC(N=C(O)C(C(C)C)N=C1O)C(O)=N2", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0029415" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "DKOXVDVXOYHFHV-SBLOXOGRSA-N": { "inchikey": "DKOXVDVXOYHFHV-SBLOXOGRSA-N", "inchikey2D": "DKOXVDVXOYHFHV", "names": [ "(1r,5r,6r)-5-hydroxy-4-methyl-1-[(6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-2-one" ], "molecular_formula": "C22H32O3", "smiles": "CC(C)=CCC/C(C)=C/CCC(C)=CC[C@@]12O[C@@H]1[C@H](O)C(C)=CC2=O", "species": [ "[query-hint] Aspergillus niger", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0077401" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "IGSGZWAWTKVRCR-UHFFFAOYSA-N": { "inchikey": "IGSGZWAWTKVRCR-UHFFFAOYSA-N", "inchikey2D": "IGSGZWAWTKVRCR", "names": [ "2-methylidene-3-(5-oxohexyl)butanedioic acid" ], "molecular_formula": "C11H16O5", "smiles": "C=C(C(=O)O)C(CCCCC(C)=O)C(=O)O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0032095" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "NLLRTVRDMOKHDF-APUXKRFWSA-N": { "inchikey": "NLLRTVRDMOKHDF-APUXKRFWSA-N", "inchikey2D": "NLLRTVRDMOKHDF", "names": [ "6-[(3e,5e)-3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl]-4-methoxypyran-2-one" ], "molecular_formula": "C20H20O3", "smiles": "COc1cc(C=C/C(C)=C/C(C)=C/c2ccccc2)oc(=O)c1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0091793" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "RNCGDQLZIATDOU-WJQMWINMSA-N": { "inchikey": "RNCGDQLZIATDOU-WJQMWINMSA-N", "inchikey2D": "RNCGDQLZIATDOU", "names": [ "(1s,4s,7r,10s,13s)-4-[(2r)-butan-2-yl]-10-isopropyl-7-(2-methylpropyl)-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaene-3,6,9,12,18-pentol", "Malformin B1a" ], "molecular_formula": "C23H39N5O5S2", "smiles": "CC[C@@H](C)[C@@H]1N=C(O)[C@@H](CC(C)C)N=C(O)[C@H](C(C)C)N=C(O)[C@H]2CSSC[C@@H](N=C1O)C(O)=N2", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0022602", "npaid": "NPA007054" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "ULUIYCOUZXIMPX-UHFFFAOYSA-N": { "inchikey": "ULUIYCOUZXIMPX-UHFFFAOYSA-N", "inchikey2D": "ULUIYCOUZXIMPX", "names": [ "6-(12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-3-methyl-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl acetate" ], "molecular_formula": "C24H34O5", "smiles": "CC(=O)OC1C(C)=CC(=O)C2(CC=C(C)CCC=C(C)CCC=C(C)CO)OC12", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0099888" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "JPEFGJBPMMMOHN-IDISGSTGSA-N": { "inchikey": "JPEFGJBPMMMOHN-IDISGSTGSA-N", "inchikey2D": "JPEFGJBPMMMOHN", "names": [ "(3s)-n-{6-benzyl-1-[(1s)-1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]-4-oxopyridine-3-carbonyl}-4-methoxy-3-methyl-4-oxobutanimidic acid", "Aspernigrin D" ], "molecular_formula": "C33H32N2O8", "smiles": "COC(=O)[C@@H](C)CC(O)=NC(=O)c1cn([C@@H](Cc2ccccc2)c2cc(OC)cc(=O)o2)c(Cc2ccccc2)cc1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0030946", "npaid": "NPA012293" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "BIATXOJBBJSKDT-UHFFFAOYSA-N": { "inchikey": "BIATXOJBBJSKDT-UHFFFAOYSA-N", "inchikey2D": "BIATXOJBBJSKDT", "names": [ "3-(2-hydroxypropyl)-7-methyl-6,8-dioxoisochromen-7-yl 2,4-dimethylhexanoate", "Azanigerone B" ], "molecular_formula": "C21H28O6", "smiles": "CCC(C)CC(C)C(=O)OC1(C)C(=O)C=C2C=C(CC(C)O)OC=C2C1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0101469", "npaid": "NPA012732" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "CQWZRVPFGYDTKI-UHFFFAOYSA-N": { "inchikey": "CQWZRVPFGYDTKI-UHFFFAOYSA-N", "inchikey2D": "CQWZRVPFGYDTKI", "names": [ "5-hydroxy-10-{5-hydroxy-8,10-dimethoxy-2-methyl-4-oxobenzo[h]chromen-6-yl}-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one", "Isonigerone" ], "molecular_formula": "C32H26O10", "smiles": "COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(O)c4c(=O)cc(C)oc4c4c(OC)cc(OC)cc34)c2c1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0032239", "npaid": "NPA004037" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "KZEPMRITIJPYEN-UHFFFAOYSA-N": { "inchikey": "KZEPMRITIJPYEN-UHFFFAOYSA-N", "inchikey2D": "KZEPMRITIJPYEN", "names": [ "6-(3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl)-4-methoxy-5-methylpyran-2-one" ], "molecular_formula": "C21H22O3", "smiles": "COc1cc(=O)oc(C=CC(C)=CC(C)=Cc2ccccc2)c1C", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0174314" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "MNXQOIADDWQXHH-FYRVNETASA-N": { "inchikey": "MNXQOIADDWQXHH-FYRVNETASA-N", "inchikey2D": "MNXQOIADDWQXHH", "names": [ "Yanuthone E", "[(1r,2r)-2-hydroxy-5-oxo-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl 3-hydroxy-3-methyl-5-oxohexanoate" ], "molecular_formula": "C29H42O7", "smiles": "CC(=O)CC(C)(O)CC(=O)OCC1=CC(=O)C2(C/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)O[C@@H]2[C@@H]1O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0017459", "npaid": "NPA012409" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "UXDPXZQHTDAXOZ-UHFFFAOYSA-N": { "inchikey": "UXDPXZQHTDAXOZ-UHFFFAOYSA-N", "inchikey2D": "UXDPXZQHTDAXOZ", "names": [ "fumonisin b2" ], "molecular_formula": "C34H59NO14", "smiles": "CCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(=O)O)C(=O)O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0169790" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "OCOJQERGBWDTLE-SFFUCWETSA-N": { "inchikey": "OCOJQERGBWDTLE-SFFUCWETSA-N", "inchikey2D": "OCOJQERGBWDTLE", "names": [ "(2r)-2-{[(2s)-2-{[(2s)-2-{[(2r)-2-amino-1-hydroxypropylidene]amino}-1-hydroxy-2-(methanethioyl)ethylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-4-methyl-n-[(1s)-3-methyl-1-(sulfanylcarbonyl)butyl]pent-4-enimidic acid" ], "molecular_formula": "C23H39N5O5S2", "smiles": "C=C(C)C[C@@H](N=C(O)[C@@H](N=C(O)[C@@H](C=S)N=C(O)[C@@H](C)N)C(C)C)C(O)=N[C@@H](CC(C)C)C(=O)S", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0096677" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "XYVQIIFHEOOJMH-UHFFFAOYSA-N": { "inchikey": "XYVQIIFHEOOJMH-UHFFFAOYSA-N", "inchikey2D": "XYVQIIFHEOOJMH", "names": [ "2-hydroxy-n-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricosan-2-yl)trideca-3,5,7,9-tetraenimidic acid" ], "molecular_formula": "C42H75NO9", "smiles": "CCCC=CC=CC=CC=CC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCCCCCCC", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0163942" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "COAWIYTXRNAXHF-UHFFFAOYSA-N": { "inchikey": "COAWIYTXRNAXHF-UHFFFAOYSA-N", "inchikey2D": "COAWIYTXRNAXHF", "names": [ "2,5,8-trihydroxy-7-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl}-6-methoxy-2-methyl-3h-naphtho[2,3-b]pyran-4-one", "Isoaurasperone F" ], "molecular_formula": "C31H26O11", "smiles": "COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(O)cc4cc5c(c(O)c4c3OC)C(=O)CC(C)(O)O5)c2c1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0188262", "npaid": "NPA003570" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "LGJCELWOOPXKFE-HSKKLARCSA-N": { "inchikey": "LGJCELWOOPXKFE-HSKKLARCSA-N", "inchikey2D": "LGJCELWOOPXKFE", "names": [ "Nigerapyrone C", "nigerapyrone c" ], "molecular_formula": "C13H14O4", "smiles": "COc1cc(/C=C/C(C)=C/C(C)=O)oc(=O)c1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0113985", "npaid": "NPA000493" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "FLCIOTVHCJKHJR-LWZWQNNYSA-N": { "inchikey": "FLCIOTVHCJKHJR-LWZWQNNYSA-N", "inchikey2D": "FLCIOTVHCJKHJR", "names": [ "(2r,3e)-2-hydroxy-n-[(3r,4e,8e)-3-hydroxy-9-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosa-4,8-dien-2-yl]hexadec-3-enimidic acid", "Asperiamide C" ], "molecular_formula": "C45H83NO9", "smiles": "CCCCCCCCCCCC/C=C/[C@@H](O)C(O)=NC(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\\C)CCCCCCCCCCCCC", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0106625", "npaid": "NPA003353" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "MIGGJPIAMPJCES-XACNLCELSA-N": { "inchikey": "MIGGJPIAMPJCES-XACNLCELSA-N", "inchikey2D": "MIGGJPIAMPJCES", "names": [ "(2e)-3-phenyl-1-[(2r,5s)-2,4,5-trimethylpiperazin-1-yl]prop-2-en-1-one" ], "molecular_formula": "C16H22N2O", "smiles": "C[C@H]1CN(C(=O)/C=C/c2ccccc2)[C@H](C)CN1C", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0105588" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "OYNYZDMUQNAANI-XDLWMWEFSA-N": { "inchikey": "OYNYZDMUQNAANI-XDLWMWEFSA-N", "inchikey2D": "OYNYZDMUQNAANI", "names": [ "(1r,2r)-3-(hydroxymethyl)-5-oxo-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-2-yl acetate", "Yanuthone C" ], "molecular_formula": "C24H34O5", "smiles": "CC(=O)O[C@@H]1C(CO)=CC(=O)C2(C/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)O[C@H]12", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0106445", "npaid": "NPA012501" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "DBTMGCOVALSLOR-UHFFFAOYSA-N": { "inchikey": "DBTMGCOVALSLOR-UHFFFAOYSA-N", "inchikey2D": "DBTMGCOVALSLOR", "names": [ "2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol" ], "molecular_formula": "C18H32O16", "smiles": "OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(CO)C3O)C2O)C(O)C(O)C1O", "species": [ "[query-hint] Aspergillus niger", "[query-hint] Lentinula" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0033820" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Lentinula==Lentinula" ] }, "GIDMWMOVOCXADR-UHFFFAOYSA-N": { "inchikey": "GIDMWMOVOCXADR-UHFFFAOYSA-N", "inchikey2D": "GIDMWMOVOCXADR", "names": [ "7-[(2,4-dimethylhexanoyl)oxy]-7-methyl-6,8-dioxoisochromene-3-carboxylic acid", "Azanigerone A" ], "molecular_formula": "C19H22O7", "smiles": "CCC(C)CC(C)C(=O)OC1(C)C(=O)C=C2C=C(C(=O)O)OC=C2C1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0174035", "npaid": "NPA015930" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "WQXBMSIHHKRGPX-FSHQBAFISA-N": { "inchikey": "WQXBMSIHHKRGPX-FSHQBAFISA-N", "inchikey2D": "WQXBMSIHHKRGPX", "names": [ "(2r)-2-(2-{[(5s,6s,7s,9r,16s,17s,18r,19s)-19-amino-6-{[(3r)-3,4-dicarboxybutanoyl]oxy}-16,17,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy}-2-oxoethyl)butanedioic acid" ], "molecular_formula": "C34H59NO15", "smiles": "CCCC[C@H](C)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)[C@H](O)[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0196785" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "CPKOINXTFBNYMW-UHFFFAOYSA-N": { "inchikey": "CPKOINXTFBNYMW-UHFFFAOYSA-N", "inchikey2D": "CPKOINXTFBNYMW", "names": [ "9-hydroxy-3-(methoxycarbonyl)-2-methylidenenonanoic acid" ], "molecular_formula": "C12H20O5", "smiles": "C=C(C(=O)O)C(CCCCCCO)C(=O)OC", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0180146" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "BVFQDPRIMUDOQZ-UHFFFAOYSA-N": { "inchikey": "BVFQDPRIMUDOQZ-UHFFFAOYSA-N", "inchikey2D": "BVFQDPRIMUDOQZ", "names": [ "6-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]-2,4-dimethylhept-5-enoic acid" ], "molecular_formula": "C16H28O4", "smiles": "CC(=CC(C)CC(C)C(=O)O)C1CCC(C)(C(C)O)O1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0089983" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "ULUIYCOUZXIMPX-SMIHKQSGSA-N": { "inchikey": "ULUIYCOUZXIMPX-SMIHKQSGSA-N", "inchikey2D": "ULUIYCOUZXIMPX", "names": [ "(1r,2r,6r)-6-(12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-3-methyl-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl acetate", "Yanuthone L" ], "molecular_formula": "C24H34O5", "smiles": "CC(=O)O[C@@H]1C(C)=CC(=O)[C@]2(CC=C(C)CCC=C(C)CCC=C(C)CO)O[C@H]12", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0105467", "npaid": "NPA015198" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "XYVQIIFHEOOJMH-NZBJCEFGSA-N": { "inchikey": "XYVQIIFHEOOJMH-NZBJCEFGSA-N", "inchikey2D": "XYVQIIFHEOOJMH", "names": [ "(2r,3e,5e,7e,9e)-2-hydroxy-n-[(2s,3r)-3-hydroxy-1-{[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricosan-2-yl]trideca-3,5,7,9-tetraenimidic acid", "Asperiamide B" ], "molecular_formula": "C42H75NO9", "smiles": "CCC/C=C/C=C/C=C/C=C/[C@@H](O)C(O)=N[C@@H](COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCCCCCCC", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0087880", "npaid": "NPA015831" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "QIGJYVCQYDKYDW-UHFFFAOYSA-N": { "inchikey": "QIGJYVCQYDKYDW-UHFFFAOYSA-N", "inchikey2D": "QIGJYVCQYDKYDW", "names": [ "galactose-α-1,3-galactose" ], "molecular_formula": "C12H22O11", "smiles": "OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O", "species": [ "[query-hint] Aspergillus niger", "[query-hint] Lentinula", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0177939" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Lentinula==Lentinula", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "URILDRUQSTUFPC-UHFFFAOYSA-N": { "inchikey": "URILDRUQSTUFPC-UHFFFAOYSA-N", "inchikey2D": "URILDRUQSTUFPC", "names": [ "2-hydroxy-n-(3-hydroxy-9-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}icosa-4,8-dien-2-yl)hexadec-3-enimidic acid" ], "molecular_formula": "C43H79NO9", "smiles": "CCCCCCCCCCCCC=CC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=C(C)CCCCCCCCCCC", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0108919" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "NLLRTVRDMOKHDF-UHFFFAOYSA-N": { "inchikey": "NLLRTVRDMOKHDF-UHFFFAOYSA-N", "inchikey2D": "NLLRTVRDMOKHDF", "names": [ "6-(3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl)-4-methoxypyran-2-one" ], "molecular_formula": "C20H20O3", "smiles": "COc1cc(C=CC(C)=CC(C)=Cc2ccccc2)oc(=O)c1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0113278" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "WRMNZCZEMHIOCP-UHFFFAOYSA-N": { "inchikey": "WRMNZCZEMHIOCP-UHFFFAOYSA-N", "inchikey2D": "WRMNZCZEMHIOCP", "names": [ "2-phenyl-ethanol" ], "molecular_formula": "C8H10O", "smiles": "OCCc1ccccc1", "species": [ "[query-hint] Aspergillus niger", "[query-hint] Phallus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0206341" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Phallus==Phallus" ] }, "ZNJXRPDYPGYTCI-YFQICCSESA-N": { "inchikey": "ZNJXRPDYPGYTCI-YFQICCSESA-N", "inchikey2D": "ZNJXRPDYPGYTCI", "names": [ "Yanuthone B", "[(1s)-2,5-dioxo-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate" ], "molecular_formula": "C24H32O5", "smiles": "CC(=O)OCC1=CC(=O)C2(C/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)O[C@@H]2C1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0131119", "npaid": "NPA007617" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "FTMZAUPTWYKXKM-ZJUUUORDSA-N": { "inchikey": "FTMZAUPTWYKXKM-ZJUUUORDSA-N", "inchikey2D": "FTMZAUPTWYKXKM", "names": [ "(3s,5r)-5-(3-acetyl-2,6-dihydroxyphenyl)-3-methoxyoxolan-2-one", "Antafumicin A" ], "molecular_formula": "C13H14O6", "smiles": "CO[C@H]1C[C@H](c2c(O)ccc(C(C)=O)c2O)OC1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0118877", "npaid": "NPA019358" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "NTTJVIQCCNYXRP-UHFFFAOYSA-N": { "inchikey": "NTTJVIQCCNYXRP-UHFFFAOYSA-N", "inchikey2D": "NTTJVIQCCNYXRP", "names": [ "3-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)-c-hydroxycarbonimidoyl]-2-methylpropanoic acid" ], "molecular_formula": "C24H22N2O5", "smiles": "CC(CC(O)=NC(=O)c1cn(-c2ccccc2)c(Cc2ccccc2)cc1=O)C(=O)O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0129919" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "IWXSAAXASBMZBN-IUCAKERBSA-N": { "inchikey": "IWXSAAXASBMZBN-IUCAKERBSA-N", "inchikey2D": "IWXSAAXASBMZBN", "names": [ "4-hydroxy-3,5-dimethyl-6-[(2s,4s)-4-methylhexan-2-yl]pyran-2-one" ], "molecular_formula": "C14H22O3", "smiles": "CC[C@H](C)C[C@H](C)c1oc(=O)c(C)c(O)c1C", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0182221" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "LFXMHSJWYXKODM-SDBXPKJASA-N": { "inchikey": "LFXMHSJWYXKODM-SDBXPKJASA-N", "inchikey2D": "LFXMHSJWYXKODM", "names": [ "Campyrone A", "n-[(1s,2s)-1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]ethanimidic acid" ], "molecular_formula": "C13H19NO4", "smiles": "CC[C@H](C)[C@H](N=C(C)O)c1cc(OC)cc(=O)o1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0142958", "npaid": "NPA000915" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "IGDYHMRRTTXPCY-UHFFFAOYSA-N": { "inchikey": "IGDYHMRRTTXPCY-UHFFFAOYSA-N", "inchikey2D": "IGDYHMRRTTXPCY", "names": [ "methyl 3-hydroxy-2,8-dimethyl-13-phenyltrideca-2,4,6,8,10,12-hexaenoate" ], "molecular_formula": "C22H24O3", "smiles": "COC(=O)C(C)=C(O)C=CC=CC(C)=CC=CC=Cc1ccccc1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0254091" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "UDCFQVYVEMPFKM-AKFKNWHVSA-N": { "inchikey": "UDCFQVYVEMPFKM-AKFKNWHVSA-N", "inchikey2D": "UDCFQVYVEMPFKM", "names": [ "(1r,2r,6r)-6-(11-hydroxy-3,7,11-trimethyldodeca-2,6-dien-1-yl)-3-methyl-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl acetate", "Yanuthone M" ], "molecular_formula": "C24H36O5", "smiles": "CC(=O)O[C@@H]1C(C)=CC(=O)[C@]2(CC=C(C)CCC=C(C)CCCC(C)(C)O)O[C@H]12", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0126325", "npaid": "NPA007552" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "AWMBNXCUMNOLQI-UHFFFAOYSA-N": { "inchikey": "AWMBNXCUMNOLQI-UHFFFAOYSA-N", "inchikey2D": "AWMBNXCUMNOLQI", "names": [ "4-benzyl-9-{3-[(5-benzyl-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)methyl]-1h-indol-7-yl}-6-hydroxy-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one" ], "molecular_formula": "C40H36N6O4", "smiles": "O=C1C(Cc2ccccc2)N=C(O)C2CC3(c4cccc5c(CC6N=C(O)C(Cc7ccccc7)N=C6O)c[nH]c45)c4ccccc4NC3N12", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0153713" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "VBGYFFVTLRYZMI-OCBLOMHFSA-N": { "inchikey": "VBGYFFVTLRYZMI-OCBLOMHFSA-N", "inchikey2D": "VBGYFFVTLRYZMI", "names": [ "(1r,4r,4as,9s,10ar)-4,9-dihydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic 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"LTS0125279" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "PKGPVVFVJPDDHE-UHFFFAOYSA-N": { "inchikey": "PKGPVVFVJPDDHE-UHFFFAOYSA-N", "inchikey2D": "PKGPVVFVJPDDHE", "names": [ "Nigerapyrone A", "nigerapyrone a" ], "molecular_formula": "C20H18O3", "smiles": "COc1cc(-c2cc(C)cc(C)c2-c2ccccc2)oc(=O)c1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0140913", "npaid": "NPA013207" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "PFIUOLPDUMSADF-NSHDSACASA-N": { "inchikey": "PFIUOLPDUMSADF-NSHDSACASA-N", "inchikey2D": "PFIUOLPDUMSADF", "names": [ "Campyrone B", "n-[(1s)-1-(4-methoxy-6-oxopyran-2-yl)-3-methylbutyl]ethanimidic acid" ], "molecular_formula": "C13H19NO4", "smiles": "COc1cc([C@H](CC(C)C)N=C(C)O)oc(=O)c1", "species": [ 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"external_ids": { "lotus_id": "LTS0157766", "npaid": "NPA006103" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "AWSOUGVUVTXLON-NWCWSAAOSA-N": { "inchikey": "AWSOUGVUVTXLON-NWCWSAAOSA-N", "inchikey2D": "AWSOUGVUVTXLON", "names": [ "(1s,4s,7r,10s,13s)-7-[(2r)-butan-2-yl]-10-isopropyl-4-(2-methylpropyl)-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaene-3,6,9,12,18-pentol" ], "molecular_formula": "C23H39N5O5S2", "smiles": "CC[C@@H](C)[C@H]1N=C(O)[C@H](C(C)C)N=C(O)[C@H]2CSSC[C@@H](N=C(O)[C@H](CC(C)C)N=C1O)C(O)=N2", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0158057" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "TZODYIWCRGWHQB-TZNCUMHOSA-N": { "inchikey": "TZODYIWCRGWHQB-TZNCUMHOSA-N", "inchikey2D": "TZODYIWCRGWHQB", "names": [ 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"inchikey2D": "NIBXHVDVUJEQPO", "names": [ "5-{[2,5-dioxo-6-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acid" ], "molecular_formula": "C28H38O8", "smiles": "CC(C)=CCCC(C)=CCCC(C)=CCC12OC1C(=O)C(COC(=O)CC(C)(O)CC(=O)O)=CC2=O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0230055" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "QVZQVMMAYKCNDX-UHFFFAOYSA-N": { "inchikey": "QVZQVMMAYKCNDX-UHFFFAOYSA-N", "inchikey2D": "QVZQVMMAYKCNDX", "names": [ "5-hydroxy-9-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-9-yl}-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one" ], "molecular_formula": "C32H26O10", "smiles": "COc1cc2cc(O)c3c(=O)cc(C)oc3c2c(OC)c1-c1c(OC)cc(OC)c2c(O)c3c(=O)cc(C)oc3cc12", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0102346" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "NYSXWUPVOCFRSE-VURMDHGXSA-N": { "inchikey": "NYSXWUPVOCFRSE-VURMDHGXSA-N", "inchikey2D": "NYSXWUPVOCFRSE", "names": [ "(1z)-1-phenylethene-1,2-diol" ], "molecular_formula": "C8H8O2", "smiles": "O/C=C(\\O)c1ccccc1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0155964" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "URHOXQWBGQQUMQ-UHFFFAOYSA-N": { "inchikey": "URHOXQWBGQQUMQ-UHFFFAOYSA-N", "inchikey2D": "URHOXQWBGQQUMQ", "names": [ "10-{4,5-dihydroxy-10-methoxy-2-methyl-8-oxocyclohexa[h]chromen-9-yl}-5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one", "Asperpyrone A" ], "molecular_formula": "C31H24O10", "smiles": "COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)c4c(cc(O)c5c(O)cc(C)oc54)cc3=O)c2c1", "species": [ 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"INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "SIZIWNVEXFRCBS-UHFFFAOYSA-N": { "inchikey": "SIZIWNVEXFRCBS-UHFFFAOYSA-N", "inchikey2D": "SIZIWNVEXFRCBS", "names": [ "6-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one" ], "molecular_formula": "C20H20O9", "smiles": "COc1cc(OC2OC(CO)C(O)C2O)c2c(O)c3c(=O)cc(C)oc3cc2c1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0235764" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "AWSOUGVUVTXLON-UHFFFAOYSA-N": { "inchikey": "AWSOUGVUVTXLON-UHFFFAOYSA-N", "inchikey2D": "AWSOUGVUVTXLON", "names": [ "10-isopropyl-4-(2-methylpropyl)-7-(sec-butyl)-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaene-3,6,9,12,18-pentol" ], "molecular_formula": "C23H39N5O5S2", "smiles": "CCC(C)C1N=C(O)C(C(C)C)N=C(O)C2CSSCC(N=C(O)C(CC(C)C)N=C1O)C(O)=N2", "species": 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"inchikey2D": "LGJCELWOOPXKFE", "names": [ "4-methoxy-6-(3-methyl-5-oxohexa-1,3-dien-1-yl)pyran-2-one" ], "molecular_formula": "C13H14O4", "smiles": "COc1cc(C=CC(C)=CC(C)=O)oc(=O)c1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0188855" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "FPNKCZKRICBAKG-UHFFFAOYSA-N": { "inchikey": "FPNKCZKRICBAKG-UHFFFAOYSA-N", "inchikey2D": "FPNKCZKRICBAKG", "names": [ "rubrofusarin" ], "molecular_formula": "C15H12O5", "smiles": "COc1cc(O)c2c(O)c3c(=O)cc(C)oc3cc2c1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0112052" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "QIGJYVCQYDKYDW-NMCXEIBESA-N": { "inchikey": "QIGJYVCQYDKYDW-NMCXEIBESA-N", "inchikey2D": "QIGJYVCQYDKYDW", "names": [ "nigerose" 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"ASQJXEOZHCDEDM-LKFCYVNXSA-N", "inchikey2D": "ASQJXEOZHCDEDM", "names": [ "6-[(2s,4r)-4-hydroxy-4-methylhexan-2-yl]-4-methoxy-3-methylpyran-2-one" ], "molecular_formula": "C14H22O4", "smiles": "CC[C@@](C)(O)C[C@H](C)c1cc(OC)c(C)c(=O)o1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0184212" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "DFYGVGBRRIMUSH-MRVPVSSYSA-N": { "inchikey": "DFYGVGBRRIMUSH-MRVPVSSYSA-N", "inchikey2D": "DFYGVGBRRIMUSH", "names": [ "(2r)-2-(4-ethoxy-4-oxobutyl)-3-methylidenebutanedioic acid" ], "molecular_formula": "C11H16O6", "smiles": "C=C(C(=O)O)[C@@H](CCCC(=O)OCC)C(=O)O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0229625" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "SDOTUWDXEGNQEU-UHFFFAOYSA-N": { "inchikey": "SDOTUWDXEGNQEU-UHFFFAOYSA-N", "inchikey2D": "SDOTUWDXEGNQEU", "names": [ "5,7-dihydroxy-2-[1-(4-methoxy-6-oxo-6H-pyran-2-yl)-2-phenylethylamino]-[1,4]naphthoquinone", "5,7-dihydroxy-2-{[1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]amino}naphthalene-1,4-dione" ], "molecular_formula": "C24H19NO7", "smiles": "COc1cc(C(Cc2ccccc2)NC2=CC(=O)c3c(O)cc(O)cc3C2=O)oc(=O)c1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0104261", "npaid": "NPA009356" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "WIIKQRDUCFEZLX-UHFFFAOYSA-N": { "inchikey": "WIIKQRDUCFEZLX-UHFFFAOYSA-N", "inchikey2D": "WIIKQRDUCFEZLX", "names": [ "n-(5-{[5-({6-[({4-[(3-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl}oxy)methyl]-3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl)ethanimidic acid" ], "molecular_formula": "C52H88N2O41", "smiles": "CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(OC5OC(CO)C(O)C(O)C5OC5OC(C(O)CO)C(O)C5O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2N=C(C)O)C1O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0183768" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "GZWIBJOEECGLTA-UHFFFAOYSA-N": { "inchikey": "GZWIBJOEECGLTA-UHFFFAOYSA-N", "inchikey2D": "GZWIBJOEECGLTA", "names": 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"NLLRTVRDMOKHDF-KHOBRVASSA-N", "inchikey2D": "NLLRTVRDMOKHDF", "names": [ "6-[(5e)-3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl]-4-methoxypyran-2-one" ], "molecular_formula": "C20H20O3", "smiles": "COc1cc(C=CC(C)=C/C(C)=C/c2ccccc2)oc(=O)c1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0178817" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "VBGYFFVTLRYZMI-UHFFFAOYSA-N": { "inchikey": "VBGYFFVTLRYZMI-UHFFFAOYSA-N", "inchikey2D": "VBGYFFVTLRYZMI", "names": [ "4,9-dihydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid" ], "molecular_formula": "C20H28O4", "smiles": "CC(C)c1ccc2c(c1)C(O)CC1C(C)(C(=O)O)CCC(O)C21C", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0168183" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "URXBIEAAUGXNIJ-UHFFFAOYSA-N": { "inchikey": "URXBIEAAUGXNIJ-UHFFFAOYSA-N", "inchikey2D": "URXBIEAAUGXNIJ", "names": [ "5-hydroxy-4-methoxy-1-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-one" ], "molecular_formula": "C22H32O4", "smiles": "COC1=CC(=O)C2(CC=C(C)CCC=C(C)CCC=C(C)C)OC2C1O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0180233" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "CUXYDAJPLBLWQO-RKTWKBMCSA-N": { "inchikey": "CUXYDAJPLBLWQO-RKTWKBMCSA-N", "inchikey2D": "CUXYDAJPLBLWQO", "names": [ "(1s,6r,8r,9r,12r,13s,16s)-8-[(2r,3e)-5,6-dimethylhept-3-en-2-yl]-9,13-dimethyl-18,19-dioxapentacyclo[10.5.2.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-2,4-diene-6,16-diol", "Nigerasterol B" ], "molecular_formula": "C28H42O4", "smiles": "CC(C)C(C)/C=C/[C@@H](C)[C@H]1C[C@@H](O)C2=C3C=C[C@@]45C[C@@H](O)CC[C@]4(C)[C@]3(CC[C@@]21C)OO5", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0250014", "npaid": "NPA010338" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "MDFIHAYHEBXNCC-UHFFFAOYSA-N": { "inchikey": "MDFIHAYHEBXNCC-UHFFFAOYSA-N", "inchikey2D": "MDFIHAYHEBXNCC", "names": [ "7-methoxy-3-(methoxycarbonyl)-2-methylidene-7-oxoheptanoic acid", "Tensyuic acid A" ], "molecular_formula": "C11H16O6", "smiles": "C=C(C(=O)O)C(CCCC(=O)OC)C(=O)OC", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0118445", "npaid": "NPA002347" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "KCSKCIQYNAOBNQ-UHFFFAOYSA-N": { "inchikey": "KCSKCIQYNAOBNQ-UHFFFAOYSA-N", "inchikey2D": "KCSKCIQYNAOBNQ", "names": [ "4-(4-carboxybutyl)-2-hydroxy-3h,3ah,4h,6h,6ah-thieno[3,4-d]imidazol-5-ium-5-olate" ], "molecular_formula": "C10H16N2O4S", "smiles": "O=C(O)CCCCC1C2NC(O)=NC2C[S+]1[O-]", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0185236" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "BQPLVAHGIZMMKM-UHFFFAOYSA-N": { "inchikey": "BQPLVAHGIZMMKM-UHFFFAOYSA-N", "inchikey2D": "BQPLVAHGIZMMKM", "names": [ "3-(1,2-dihydroxypropyl)-7-methyl-6,8-dioxoisochromen-7-yl 2,4-dimethylhexanoate", "Azanigerone C" ], "molecular_formula": "C21H28O7", "smiles": "CCC(C)CC(C)C(=O)OC1(C)C(=O)C=C2C=C(C(O)C(C)O)OC=C2C1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0188962", "npaid": "NPA006968" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "MDFIHAYHEBXNCC-MRVPVSSYSA-N": { "inchikey": "MDFIHAYHEBXNCC-MRVPVSSYSA-N", "inchikey2D": "MDFIHAYHEBXNCC", "names": [ "(3r)-7-methoxy-3-(methoxycarbonyl)-2-methylidene-7-oxoheptanoic acid" ], "molecular_formula": "C11H16O6", "smiles": "C=C(C(=O)O)[C@@H](CCCC(=O)OC)C(=O)OC", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0185978" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "NYSXWUPVOCFRSE-UHFFFAOYSA-N": { "inchikey": "NYSXWUPVOCFRSE-UHFFFAOYSA-N", "inchikey2D": "NYSXWUPVOCFRSE", "names": [ "1-phenylethene-1,2-diol" ], "molecular_formula": "C8H8O2", "smiles": "OC=C(O)c1ccccc1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0270279" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "KMNUKTSDKCNYAD-UHFFFAOYSA-N": { "inchikey": "KMNUKTSDKCNYAD-UHFFFAOYSA-N", "inchikey2D": "KMNUKTSDKCNYAD", "names": [ "4,11,12-trihydroxy-5-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),4,9,11-pentaene-3,6-dione" ], "molecular_formula": "C18H10O7", "smiles": "O=C1C(c2ccc(O)cc2)=C(O)C(=O)c2c1oc1cc(O)c(O)cc21", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0054393" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "VYRJMNNIHZJSTP-UHFFFAOYSA-N": { "inchikey": "VYRJMNNIHZJSTP-UHFFFAOYSA-N", "inchikey2D": "VYRJMNNIHZJSTP", "names": [ "6-{2,5-dihydroxy-8,10-dimethoxy-2-methyl-4-oxo-3h-naphtho[1,2-b]pyran-9-yl}-2,5-dihydroxy-8,10-dimethoxy-2-methyl-3h-naphtho[1,2-b]pyran-4-one", "Nigerasperone B" ], "molecular_formula": "C32H30O12", "smiles": "COc1cc(OC)c2c3c(c(O)c(-c4c(OC)cc5cc(O)c6c(c5c4OC)OC(C)(O)CC6=O)c2c1)C(=O)CC(C)(O)O3", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0264261", "npaid": "NPA018271" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "STUMFFBVBKIJSG-SNVBAGLBSA-N": { "inchikey": "STUMFFBVBKIJSG-SNVBAGLBSA-N", "inchikey2D": "STUMFFBVBKIJSG", "names": [ "(2r)-2-(6-ethoxy-6-oxohexyl)-3-methylidenebutanedioic acid" ], "molecular_formula": "C13H20O6", "smiles": "C=C(C(=O)O)[C@@H](CCCCCC(=O)OCC)C(=O)O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0275101" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "YDNWVTUIFJBROE-CYXONCDGSA-N": { "inchikey": "YDNWVTUIFJBROE-CYXONCDGSA-N", "inchikey2D": "YDNWVTUIFJBROE", "names": [ "asnipyrone a" ], "molecular_formula": "C21H22O3", "smiles": "COc1cc(/C=C/C(C)=C/C(C)=C/c2ccccc2)oc(=O)c1C", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0193041" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "LKAPOZOEERMHTO-UHFFFAOYSA-N": { "inchikey": "LKAPOZOEERMHTO-UHFFFAOYSA-N", "inchikey2D": "LKAPOZOEERMHTO", "names": [ "5-hydroxy-2-(hydroxymethyl)-6,8-dimethoxybenzo[g]chromen-4-one", "Nigerasperone A" ], "molecular_formula": "C16H14O6", "smiles": "COc1cc(OC)c2c(O)c3c(=O)cc(CO)oc3cc2c1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0053861", "npaid": "NPA004139" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "PIXNRLCOGGHRMO-UHFFFAOYSA-N": { "inchikey": "PIXNRLCOGGHRMO-UHFFFAOYSA-N", "inchikey2D": "PIXNRLCOGGHRMO", "names": [ "10-{4,5-dihydroxy-6-methoxy-2-methyl-8-oxocyclohexa[g]chromen-7-yl}-2,5-dihydroxy-6,8-dimethoxy-2-methyl-3h-naphtho[2,3-b]pyran-4-one", "Nigerasperone C" ], "molecular_formula": "C31H26O11", "smiles": "COc1cc(OC)c2c(O)c3c(c(-c4c(OC)c5c(O)c6c(O)cc(C)oc6cc5cc4=O)c2c1)OC(C)(O)CC3=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0245615", "npaid": "NPA003213" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "UOIRNFVLBXIGKH-UHFFFAOYSA-N": { "inchikey": "UOIRNFVLBXIGKH-UHFFFAOYSA-N", "inchikey2D": "UOIRNFVLBXIGKH", "names": [ "3-hydroxy-2-(c-hydroxycarbonimidoyl)-6-methoxy-5-methyl-4-(prop-1-en-1-yl)benzoic acid" ], "molecular_formula": "C13H15NO5", "smiles": "CC=Cc1c(C)c(OC)c(C(=O)O)c(C(=N)O)c1O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0177780" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "TZODYIWCRGWHQB-UHFFFAOYSA-N": { "inchikey": "TZODYIWCRGWHQB-UHFFFAOYSA-N", "inchikey2D": "TZODYIWCRGWHQB", "names": [ "10-isopropyl-4,7-bis(2-methylpropyl)-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaene-3,6,9,12,18-pentol" ], "molecular_formula": "C23H39N5O5S2", "smiles": "CC(C)CC1N=C(O)C(CC(C)C)N=C(O)C(C(C)C)N=C(O)C2CSSCC(N=C1O)C(O)=N2", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0096874" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "KZEPMRITIJPYEN-CYXONCDGSA-N": { "inchikey": "KZEPMRITIJPYEN-CYXONCDGSA-N", "inchikey2D": "KZEPMRITIJPYEN", "names": [ "asnipyrone a" ], "molecular_formula": "C21H22O3", "smiles": "COc1cc(=O)oc(/C=C/C(C)=C/C(C)=C/c2ccccc2)c1C", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0205365" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "YPBKRWIKGTUGIL-UHFFFAOYSA-N": { "inchikey": "YPBKRWIKGTUGIL-UHFFFAOYSA-N", "inchikey2D": "YPBKRWIKGTUGIL", "names": [ "5,6-dihydroxy-10-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl}-8-methoxy-2-methylbenzo[g]chromen-4-one", "6'-O-demethylnigerone" ], "molecular_formula": "C31H24O10", "smiles": "COc1cc(O)c2c(O)c3c(=O)cc(C)oc3c(-c3c4cc(OC)cc(OC)c4c(O)c4c(=O)cc(C)oc34)c2c1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0215278", "npaid": "NPA008790" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "PIXYPRXKMCTYQV-RJBILPHGSA-N": { "inchikey": "PIXYPRXKMCTYQV-RJBILPHGSA-N", "inchikey2D": "PIXYPRXKMCTYQV", "names": [ "(1s,4s,7r,10s,13s)-7-[(2r)-butan-2-yl]-4-[(2s)-butan-2-yl]-10-isopropyl-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaene-3,6,9,12,18-pentol", "Malformin B4" ], "molecular_formula": "C23H39N5O5S2", "smiles": "CC[C@H](C)[C@@H]1N=C(O)[C@@H]([C@H](C)CC)N=C(O)[C@H](C(C)C)N=C(O)[C@H]2CSSC[C@@H](N=C1O)C(O)=N2", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0062445", "npaid": "NPA013195" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "UXDPXZQHTDAXOZ-JNGDVCOQSA-N": { "inchikey": "UXDPXZQHTDAXOZ-JNGDVCOQSA-N", "inchikey2D": "UXDPXZQHTDAXOZ", "names": [ "(2r)-2-(2-{[(5s,6s,7s,9r,16s,18s,19s)-19-amino-6-{[(3r)-3,4-dicarboxybutanoyl]oxy}-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy}-2-oxoethyl)butanedioic acid" ], "molecular_formula": "C34H59NO14", "smiles": "CCCC[C@H](C)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0209783" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "ZNJXRPDYPGYTCI-QCZFUNBTSA-N": { "inchikey": "ZNJXRPDYPGYTCI-QCZFUNBTSA-N", "inchikey2D": "ZNJXRPDYPGYTCI", "names": [ "[(1s,6r)-2,5-dioxo-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate" ], "molecular_formula": "C24H32O5", "smiles": "CC(=O)OCC1=CC(=O)[C@]2(C/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)O[C@@H]2C1=O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0098390" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "GORRUIALEVAHBX-UHFFFAOYSA-N": { "inchikey": "GORRUIALEVAHBX-UHFFFAOYSA-N", "inchikey2D": "GORRUIALEVAHBX", "names": [ "Nigerapyrone B", "nigerapyrone b" ], "molecular_formula": "C21H20O3", "smiles": "COc1cc(-c2cc(C)cc(C)c2-c2ccccc2)oc(=O)c1C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0212709", "npaid": "NPA008282" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "HHNMWAFTDSRKBX-JNWHFCKMSA-N": { "inchikey": "HHNMWAFTDSRKBX-JNWHFCKMSA-N", "inchikey2D": "HHNMWAFTDSRKBX", "names": [ "(e,2z)-n-[(1z)-3-hydroxy-1-phenylprop-1-en-2-yl]-4-methoxy-4-oxobut-2-enimidic acid", "Methyl (Z)-4-{[(Z)-1-(hydroxymethyl)-2-phenyl-1-ethenyl] amino}-4-oxo-2-butenoate" ], "molecular_formula": "C14H15NO4", "smiles": "COC(=O)/C=C\\C(O)=N/C(=C\\c1ccccc1)CO", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0207310", "npaid": "NPA014634" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "LMBDGTRVHLFFEW-UHFFFAOYSA-N": { "inchikey": "LMBDGTRVHLFFEW-UHFFFAOYSA-N", "inchikey2D": "LMBDGTRVHLFFEW", "names": [ "4-benzyl-6-hydroxypyridine-3-carboximidic acid" ], "molecular_formula": "C13H12N2O2", "smiles": "N=C(O)c1cnc(O)cc1Cc1ccccc1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0228985" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "CYHGDBJCXMTRFL-NSCUHMNNSA-N": { "inchikey": "CYHGDBJCXMTRFL-NSCUHMNNSA-N", "inchikey2D": "CYHGDBJCXMTRFL", "names": [ "10-hydroxy-11-[(1e)-prop-1-en-1-yl]-3,5,12-trioxa-7-azatricyclo[6.4.0.0²,⁶]dodeca-1(8),2(6),10-trien-9-one" ], "molecular_formula": "C11H9NO5", "smiles": "C/C=C/c1oc2c3c([nH]c2c(=O)c1O)OCO3", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0090959" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "CALQMXHCWPUHBZ-ONEGZZNKSA-N": { "inchikey": "CALQMXHCWPUHBZ-ONEGZZNKSA-N", "inchikey2D": "CALQMXHCWPUHBZ", "names": [ "1,3,6-trihydroxy-2-methoxy-5-[(1e)-prop-1-en-1-yl]pyrano[3,2-b]pyrrol-7-one" ], "molecular_formula": "C11H11NO6", "smiles": "C/C=C/c1oc2c(O)c(OC)n(O)c2c(=O)c1O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0213294" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "VFMQMACUYWGDOJ-AWEZNQCLSA-N": { "inchikey": "VFMQMACUYWGDOJ-AWEZNQCLSA-N", "inchikey2D": "VFMQMACUYWGDOJ", "names": [ "Pyrophen", "n-[(1s)-1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]ethanimidic acid" ], "molecular_formula": "C16H17NO4", "smiles": "COc1cc([C@H](Cc2ccccc2)N=C(C)O)oc(=O)c1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0210011", "npaid": "NPA006435" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "IOUNJEVHPQCKKE-LLVKDONJSA-N": { "inchikey": "IOUNJEVHPQCKKE-LLVKDONJSA-N", "inchikey2D": "IOUNJEVHPQCKKE", "names": [ "(2r)-2-(8-methoxy-8-oxooctyl)-3-methylidenebutanedioic acid" ], "molecular_formula": "C14H22O6", "smiles": "C=C(C(=O)O)[C@@H](CCCCCCCC(=O)OC)C(=O)O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0057938" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "ZVZWZNGQYMVVRW-UHFFFAOYSA-N": { "inchikey": "ZVZWZNGQYMVVRW-UHFFFAOYSA-N", "inchikey2D": "ZVZWZNGQYMVVRW", "names": [ "3-{4,5-dihydroxy-6-methoxy-2-methyl-8-oxocyclohexa[g]chromen-10-yl}-5-hydroxy-3,4-dihydropyrrol-2-one" ], "molecular_formula": "C19H15NO7", "smiles": "COc1cc(=O)cc2c(C3CC(O)=NC3=O)c3oc(C)cc(O)c3c(O)c12", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0221099" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "GUBGYTABKSRVRQ-UHFFFAOYSA-N": { "inchikey": "GUBGYTABKSRVRQ-UHFFFAOYSA-N", "inchikey2D": "GUBGYTABKSRVRQ", "names": [ "starch" ], "molecular_formula": "C12H22O11", "smiles": "OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O", "species": [ "[query-hint] Aspergillus niger", "[query-hint] Lentinula", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0210079" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Lentinula==Lentinula", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "DKOXVDVXOYHFHV-ITGDQCKOSA-N": { "inchikey": "DKOXVDVXOYHFHV-ITGDQCKOSA-N", "inchikey2D": "DKOXVDVXOYHFHV", "names": [ "(1r,5r,6r)-5-hydroxy-4-methyl-1-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-2-one", "7-deacetoxyyanuthone" ], "molecular_formula": "C22H32O3", "smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]12O[C@@H]1[C@H](O)C(C)=CC2=O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Aspergillus niger", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0086914", "npaid": "NPA011299" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "NRPFNQUDKRYCNX-UHFFFAOYSA-N": { "inchikey": "NRPFNQUDKRYCNX-UHFFFAOYSA-N", "inchikey2D": "NRPFNQUDKRYCNX", "names": [ "4-methoxyphenylacetic acid" ], "molecular_formula": "C9H10O3", "smiles": "COc1ccc(CC(=O)O)cc1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0077229" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "DBTMGCOVALSLOR-OSFBVWQMSA-N": { "inchikey": "DBTMGCOVALSLOR-OSFBVWQMSA-N", "inchikey2D": "DBTMGCOVALSLOR", "names": [ "α-nigerotriose" ], "molecular_formula": "C18H32O16", "smiles": "OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@@H]3[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O", "species": [ "[query-hint] Aspergillus niger", "[query-hint] Lentinula" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0229893" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Lentinula==Lentinula" ] }, "AUXUIWMAFZEZRF-UHFFFAOYSA-N": { "inchikey": "AUXUIWMAFZEZRF-UHFFFAOYSA-N", "inchikey2D": "AUXUIWMAFZEZRF", "names": [ "6-(12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-3-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl acetate" ], "molecular_formula": "C24H34O6", "smiles": "CC(=O)OC1C(CO)=CC(=O)C2(CC=C(C)CCC=C(C)CCC=C(C)CO)OC12", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0232753" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "FETKGWYJMCJTFQ-CLWBWSEQSA-N": { "inchikey": "FETKGWYJMCJTFQ-CLWBWSEQSA-N", "inchikey2D": "FETKGWYJMCJTFQ", "names": [ "(1r,4r,7s,9s)-4-benzyl-9-(3-{[(2s,5r)-5-benzyl-3,6-dihydroxy-2,5-dihydropyrazin-2-yl]methyl}indol-1-yl)-6-hydroxy-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one", "Asperazine A" ], "molecular_formula": "C40H36N6O4", "smiles": "O=C1[C@@H](Cc2ccccc2)N=C(O)[C@@H]2C[C@]3(n4cc(C[C@@H]5N=C(O)[C@@H](Cc6ccccc6)N=C5O)c5ccccc54)c4ccccc4N[C@@H]3N12", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0234192", "npaid": "NPA007970" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "KRAMZQVVDZHLGY-UHFFFAOYSA-N": { "inchikey": "KRAMZQVVDZHLGY-UHFFFAOYSA-N", "inchikey2D": "KRAMZQVVDZHLGY", "names": [ "1,7-dihydroxy-3-methylxanthen-9-one", "1,7-dihydroxy-3-methylxanthone" ], "molecular_formula": "C14H10O4", "smiles": "Cc1cc(O)c2c(=O)c3cc(O)ccc3oc2c1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0233850", "npaid": "NPA003712" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "DFBIRQPKNDILPW-CIVMWXNOSA-N": { "inchikey": "DFBIRQPKNDILPW-CIVMWXNOSA-N", "inchikey2D": "DFBIRQPKNDILPW", "names": [ "triptolide" ], "molecular_formula": "C20H24O6", "smiles": "CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0226699" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "SGMQQYJUDLVNTG-UHFFFAOYSA-N": { "inchikey": "SGMQQYJUDLVNTG-UHFFFAOYSA-N", "inchikey2D": "SGMQQYJUDLVNTG", "names": [ "7-[(2,4-dimethylhexanoyl)oxy]-6-hydroxy-7-methyl-8-oxoisoquinoline-3-carboxylic acid", "Azanigerone D" ], "molecular_formula": "C19H23NO6", "smiles": "CCC(C)CC(C)C(=O)OC1(C)C(=O)c2cnc(C(=O)O)cc2C=C1O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0236264", "npaid": "NPA016590" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "WQXBMSIHHKRGPX-UHFFFAOYSA-N": { "inchikey": "WQXBMSIHHKRGPX-UHFFFAOYSA-N", "inchikey2D": "WQXBMSIHHKRGPX", "names": [ "2-[2-({19-amino-6-[(3,4-dicarboxybutanoyl)oxy]-16,17,18-trihydroxy-5,9-dimethylicosan-7-yl}oxy)-2-oxoethyl]butanedioic acid", "Fumonisin b6" ], "molecular_formula": "C34H59NO15", "smiles": "CCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CCCCCCC(O)C(O)C(O)C(C)N)OC(=O)CC(CC(=O)O)C(=O)O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0018782", "npaid": "NPA017565" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "NXKIAZOEVGWPKT-UXNGKKSFSA-N": { "inchikey": "NXKIAZOEVGWPKT-UXNGKKSFSA-N", "inchikey2D": "NXKIAZOEVGWPKT", "names": [ "(1r,5r,6r)-5-hydroxy-4-(hydroxymethyl)-1-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-2-one", "22-Deacetylyanuthone A" ], "molecular_formula": "C22H32O4", "smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]12O[C@@H]1[C@H](O)C(CO)=CC2=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0186345", "npaid": "NPA015963" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "CALQMXHCWPUHBZ-UHFFFAOYSA-N": { "inchikey": "CALQMXHCWPUHBZ-UHFFFAOYSA-N", "inchikey2D": "CALQMXHCWPUHBZ", "names": [ "1,3,6-trihydroxy-2-methoxy-5-(prop-1-en-1-yl)pyrano[3,2-b]pyrrol-7-one" ], "molecular_formula": "C11H11NO6", "smiles": "CC=Cc1oc2c(O)c(OC)n(O)c2c(=O)c1O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0021144" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "JUBLUNYIZBICLS-UHFFFAOYSA-N": { "inchikey": "JUBLUNYIZBICLS-UHFFFAOYSA-N", "inchikey2D": "JUBLUNYIZBICLS", "names": [ "9-{5,8-dihydroxy-10-methoxy-2-methyl-4-oxobenzo[h]chromen-9-yl}-5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one" ], "molecular_formula": "C31H24O10", "smiles": "COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3cc2c1-c1c(O)cc2cc(O)c3c(=O)cc(C)oc3c2c1OC", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0229141" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "GZWIBJOEECGLTA-GDKWXELFSA-N": { "inchikey": "GZWIBJOEECGLTA-GDKWXELFSA-N", "inchikey2D": "GZWIBJOEECGLTA", "names": [ "1-Hydroxyyanuthone A", "[(1r,2r)-2-hydroxy-6-[(2e,6e,10e)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate" ], "molecular_formula": "C24H34O6", "smiles": "CC(=O)OCC1=CC(=O)C2(C/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CO)O[C@@H]2[C@@H]1O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0157183", "npaid": "NPA009023" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "UYOJPIPBTQKANX-UHFFFAOYSA-N": { "inchikey": "UYOJPIPBTQKANX-UHFFFAOYSA-N", "inchikey2D": "UYOJPIPBTQKANX", "names": [ "9-methoxy-3-(methoxycarbonyl)-2-methylidene-9-oxononanoic acid", "Tensyuic acid D" ], "molecular_formula": "C13H20O6", "smiles": "C=C(C(=O)O)C(CCCCCC(=O)OC)C(=O)OC", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0024894", "npaid": "NPA001026" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "FEUIXQJXKYASCV-UHFFFAOYSA-N": { "inchikey": "FEUIXQJXKYASCV-UHFFFAOYSA-N", "inchikey2D": "FEUIXQJXKYASCV", "names": [ "5-hydroxy-10-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-7-yl}-2-(2-hydroxypropyl)-6,8-dimethoxybenzo[g]chromen-4-one", "Aurasperone H" ], "molecular_formula": "C34H30O11", "smiles": "COc1cc(OC)c2c(O)c3c(=O)cc(CC(C)O)oc3c(-c3c(OC)cc4cc5oc(C)cc(=O)c5c(O)c4c3OC)c2c1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0225656", "npaid": "NPA014120" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "MBDIPBHBEVOYQB-UHFFFAOYSA-N": { "inchikey": "MBDIPBHBEVOYQB-UHFFFAOYSA-N", "inchikey2D": "MBDIPBHBEVOYQB", "names": [ "5-hydroxy-10-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl}-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one", "Nigerone" ], "molecular_formula": "C32H26O10", "smiles": "COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c4cc(OC)cc(OC)c4c(O)c4c(=O)cc(C)oc34)c2c1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0212210", "npaid": "NPA002966" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "UVJQWIZGFAYGJK-YJNQILDBSA-N": { "inchikey": "UVJQWIZGFAYGJK-YJNQILDBSA-N", "inchikey2D": "UVJQWIZGFAYGJK", "names": [ 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"[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0240350", "npaid": "NPA007504" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "AWMBNXCUMNOLQI-JQLKQZRRSA-N": { "inchikey": "AWMBNXCUMNOLQI-JQLKQZRRSA-N", "inchikey2D": "AWMBNXCUMNOLQI", "names": [ "(1r,4r,7s,9r)-4-benzyl-9-(3-{[(2s,5r)-5-benzyl-3,6-dihydroxy-2,5-dihydropyrazin-2-yl]methyl}-1h-indol-7-yl)-6-hydroxy-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one", "Asperazine" ], "molecular_formula": "C40H36N6O4", "smiles": "O=C1[C@@H](Cc2ccccc2)N=C(O)[C@@H]2C[C@]3(c4cccc5c(C[C@@H]6N=C(O)[C@@H](Cc7ccccc7)N=C6O)c[nH]c45)c4ccccc4N[C@@H]3N12", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0019737", "npaid": "NPA014021" }, "toxicity_filter_pass": true, 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"[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0020172" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "LESVQQSUHUNTRC-UHFFFAOYSA-N": { "inchikey": "LESVQQSUHUNTRC-UHFFFAOYSA-N", "inchikey2D": "LESVQQSUHUNTRC", "names": [ "4,7-dihydroxy-4',7'-dimethoxy-5,5'-dimethyl-[3,3'-bichromene]-2,2'-dione", "Bicoumanigrin" ], "molecular_formula": "C22H18O8", "smiles": "COc1cc(C)c2c(OC)c(-c3c(O)c4c(C)cc(O)cc4oc3=O)c(=O)oc2c1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0064042", "npaid": "NPA015841" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "WCMUUYZSUQJWRX-UHFFFAOYSA-N": { "inchikey": "WCMUUYZSUQJWRX-UHFFFAOYSA-N", "inchikey2D": "WCMUUYZSUQJWRX", "names": [ "n-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]ethanimidic acid" ], "molecular_formula": "C12H17NO4", "smiles": "COc1cc(C(N=C(C)O)C(C)C)oc(=O)c1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0028072" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "URILDRUQSTUFPC-DDSPGNMTSA-N": { "inchikey": "URILDRUQSTUFPC-DDSPGNMTSA-N", "inchikey2D": "URILDRUQSTUFPC", "names": [ "(2r,3e)-2-hydroxy-n-[(2s,3r,4e,8e)-3-hydroxy-9-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}icosa-4,8-dien-2-yl]hexadec-3-enimidic acid", "Asperamide B" ], "molecular_formula": "C43H79NO9", "smiles": "CCCCCCCCCCCC/C=C/[C@@H](O)C(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\\C)CCCCCCCCCCC", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0175218", "npaid": "NPA012835" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "MIGGJPIAMPJCES-HOQBHHMFSA-N": { "inchikey": "MIGGJPIAMPJCES-HOQBHHMFSA-N", "inchikey2D": "MIGGJPIAMPJCES", "names": [ "(2e)-3-phenyl-1-[(2s,5r)-2,4,5-trimethylpiperazin-1-yl]prop-2-en-1-one" ], "molecular_formula": "C16H22N2O", "smiles": "C[C@H]1CN(C)[C@H](C)CN1C(=O)/C=C/c1ccccc1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0215665" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "BVFQDPRIMUDOQZ-MFJRGMGOSA-N": { "inchikey": "BVFQDPRIMUDOQZ-MFJRGMGOSA-N", "inchikey2D": "BVFQDPRIMUDOQZ", "names": [ "(5e)-6-[(2s,5s)-5-(1-hydroxyethyl)-5-methyloxolan-2-yl]-2,4-dimethylhept-5-enoic acid", "Asperic acid" ], "molecular_formula": "C16H28O4", "smiles": "C/C(=C\\C(C)CC(C)C(=O)O)[C@@H]1CC[C@@](C)(C(C)O)O1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0058955", "npaid": "NPA015621" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "CUXYDAJPLBLWQO-PAGVWFLHSA-N": { "inchikey": "CUXYDAJPLBLWQO-PAGVWFLHSA-N", "inchikey2D": "CUXYDAJPLBLWQO", "names": [ "(1s,6s,8r,9r,12r,13s,16s)-8-[(2r,3e)-5,6-dimethylhept-3-en-2-yl]-9,13-dimethyl-18,19-dioxapentacyclo[10.5.2.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-2,4-diene-6,16-diol", "Nigerasterol A" ], "molecular_formula": "C28H42O4", "smiles": "CC(C)C(C)/C=C/[C@@H](C)[C@H]1C[C@H](O)C2=C3C=C[C@@]45C[C@@H](O)CC[C@]4(C)[C@]3(CC[C@@]21C)OO5", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0165157", "npaid": "NPA017705" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "ITJJIMKGOLMIJY-BNFZFUHLSA-N": { "inchikey": "ITJJIMKGOLMIJY-BNFZFUHLSA-N", "inchikey2D": "ITJJIMKGOLMIJY", "names": [ "3-hydroxy-6-methyl-7-methylidene-2-[(1e,3e)-nona-1,3-dien-1-yl]pyrano[2,3-c]pyrrole-4,5-dione", "Pyranonigrin E" ], "molecular_formula": "C18H21NO4", "smiles": "C=C1c2oc(/C=C/C=C/CCCCC)c(O)c(=O)c2C(=O)N1C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0250635", "npaid": "NPA013692" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "BVFQDPRIMUDOQZ-CTRZWFJWSA-N": { "inchikey": "BVFQDPRIMUDOQZ-CTRZWFJWSA-N", "inchikey2D": "BVFQDPRIMUDOQZ", "names": [ "(2s,4r,5e)-6-[(2s,5s)-5-[(1r)-1-hydroxyethyl]-5-methyloxolan-2-yl]-2,4-dimethylhept-5-enoic acid" ], "molecular_formula": "C16H28O4", "smiles": "C/C(=C\\[C@H](C)C[C@H](C)C(=O)O)[C@@H]1CC[C@@](C)([C@@H](C)O)O1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0251762" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "JNANCCREFMIVHM-BDBRCDPUSA-N": { "inchikey": "JNANCCREFMIVHM-BDBRCDPUSA-N", "inchikey2D": "JNANCCREFMIVHM", "names": [ "(1r,7s,9ar,9br,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C28H42O", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC=C2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0168803" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "NTTJVIQCCNYXRP-INIZCTEOSA-N": { "inchikey": "NTTJVIQCCNYXRP-INIZCTEOSA-N", "inchikey2D": "NTTJVIQCCNYXRP", "names": [ "(2s)-3-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)-c-hydroxycarbonimidoyl]-2-methylpropanoic acid", "Nygerone A" ], "molecular_formula": "C24H22N2O5", "smiles": "C[C@@H](CC(O)=NC(=O)c1cn(-c2ccccc2)c(Cc2ccccc2)cc1=O)C(=O)O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0058064", "npaid": "NPA002561" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "JHRSKIPBFMBFDI-VMZHVLLKSA-N": { "inchikey": "JHRSKIPBFMBFDI-VMZHVLLKSA-N", "inchikey2D": "JHRSKIPBFMBFDI", "names": [ "(2r)-2,6-dihydroxy-5-[(1e)-prop-1-en-1-yl]-1h,2h-pyrano[3,2-b]pyrrole-3,7-dione" ], "molecular_formula": "C10H9NO5", "smiles": "C/C=C/c1oc2c(c(=O)c1O)N[C@H](O)C2=O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0255976" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "BMZVKIISUVDSCW-UHFFFAOYSA-N": { "inchikey": "BMZVKIISUVDSCW-UHFFFAOYSA-N", "inchikey2D": "BMZVKIISUVDSCW", "names": [ "8-(hexyloxy)-2,6-dihydroxynaphthalene-1,4-dione" ], "molecular_formula": "C16H18O5", "smiles": "CCCCCCOc1cc(O)cc2c1C(=O)C(O)=CC2=O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0241846" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "BVFQDPRIMUDOQZ-FMZUCOQQSA-N": { "inchikey": "BVFQDPRIMUDOQZ-FMZUCOQQSA-N", "inchikey2D": "BVFQDPRIMUDOQZ", "names": [ "(5z)-6-[(2s,5s)-5-(1-hydroxyethyl)-5-methyloxolan-2-yl]-2,4-dimethylhept-5-enoic acid" ], "molecular_formula": "C16H28O4", "smiles": "C/C(=C/C(C)CC(C)C(=O)O)[C@@H]1CC[C@@](C)(C(C)O)O1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0245271" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "FLCIOTVHCJKHJR-UHFFFAOYSA-N": { "inchikey": "FLCIOTVHCJKHJR-UHFFFAOYSA-N", "inchikey2D": "FLCIOTVHCJKHJR", "names": [ "2-hydroxy-n-(3-hydroxy-9-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosa-4,8-dien-2-yl)hexadec-3-enimidic acid" ], "molecular_formula": "C45H83NO9", "smiles": "CCCCCCCCCCCCC=CC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=C(C)CCCCCCCCCCCCC", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0252249" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "AUXUIWMAFZEZRF-GDKWXELFSA-N": { "inchikey": "AUXUIWMAFZEZRF-GDKWXELFSA-N", "inchikey2D": "AUXUIWMAFZEZRF", "names": [ "(1r,2r)-6-[(2e,6e,10e)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-3-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl acetate", "1-Hydroxyyanuthone C" ], "molecular_formula": "C24H34O6", "smiles": "CC(=O)O[C@@H]1C(CO)=CC(=O)C2(C/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CO)O[C@H]12", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0175638", "npaid": "NPA019302" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "KVCRJELRKNDEHT-UHFFFAOYSA-N": { "inchikey": "KVCRJELRKNDEHT-UHFFFAOYSA-N", "inchikey2D": "KVCRJELRKNDEHT", "names": [ "4,5-dihydroxy-9-(10-hydroxy-5,7-dimethoxy-3-methyl-1-oxo-4h-phenanthren-9-yl)-10-methoxy-2-methylcyclohexa[h]chromen-8-one", "Asperpyrone E" ], "molecular_formula": "C32H26O9", "smiles": "COc1cc(OC)c2c3c(c(O)c(-c4c(OC)c5c(cc(O)c6c(O)cc(C)oc65)cc4=O)c2c1)C(=O)C=C(C)C3", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0193069", "npaid": "NPA001843" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "YVLPJBAIVAPEFU-UHFFFAOYSA-N": { "inchikey": "YVLPJBAIVAPEFU-UHFFFAOYSA-N", "inchikey2D": "YVLPJBAIVAPEFU", "names": [ "5-hydroxy-6-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-7-yl}-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one", "Asperpyrone C" ], "molecular_formula": "C32H26O10", "smiles": "COc1cc(OC)c2c(c1)c(-c1c(OC)cc3cc4oc(C)cc(=O)c4c(O)c3c1OC)c(O)c1c(=O)cc(C)oc12", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0226597", "npaid": "NPA010091" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "HHNMWAFTDSRKBX-UHFFFAOYSA-N": { "inchikey": "HHNMWAFTDSRKBX-UHFFFAOYSA-N", "inchikey2D": "HHNMWAFTDSRKBX", "names": [ "n-(3-hydroxy-1-phenylprop-1-en-2-yl)-4-methoxy-4-oxobut-2-enimidic acid" ], "molecular_formula": "C14H15NO4", "smiles": "COC(=O)C=CC(O)=NC(=Cc1ccccc1)CO", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0249081" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "SSGXAFNGBRRLQM-UHFFFAOYSA-N": { "inchikey": "SSGXAFNGBRRLQM-UHFFFAOYSA-N", "inchikey2D": "SSGXAFNGBRRLQM", "names": [ "orlandin" ], "molecular_formula": "C22H18O8", "smiles": "COc1cc(=O)oc2c(-c3c(O)cc(C)c4c(OC)cc(=O)oc34)c(O)cc(C)c12", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0130914" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "FRNKOHRZZMPMEP-URRYWWILSA-N": { "inchikey": "FRNKOHRZZMPMEP-URRYWWILSA-N", "inchikey2D": "FRNKOHRZZMPMEP", "names": [ "(1s,4s,7r,10s,13s)-4-[(2s)-butan-2-yl]-7,10-diisopropyl-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaene-3,6,9,12,18-pentol" ], "molecular_formula": "C22H37N5O5S2", "smiles": "CC[C@H](C)[C@@H]1N=C(O)[C@@H](C(C)C)N=C(O)[C@H](C(C)C)N=C(O)[C@H]2CSSC[C@@H](N=C1O)C(O)=N2", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0118143" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "WCEXIYMNTCQJNV-UHFFFAOYSA-N": { "inchikey": "WCEXIYMNTCQJNV-UHFFFAOYSA-N", "inchikey2D": "WCEXIYMNTCQJNV", "names": [ "3,4,6,7-tetrahydroxy-5-methoxy-9-methylphenalen-1-one", "Funalenone" ], "molecular_formula": "C15H12O6", "smiles": "COc1c(O)c2c3c(c(C)cc(O)c3c1O)C(=O)C=C2O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0069000", "npaid": "NPA002844" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "RENHHCMPSDDNOZ-CBDFSSCJSA-N": { "inchikey": "RENHHCMPSDDNOZ-CBDFSSCJSA-N", "inchikey2D": "RENHHCMPSDDNOZ", "names": [ "[(1r,2r,6r)-2-hydroxy-5-oxo-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate" ], "molecular_formula": "C24H34O5", "smiles": "CC(=O)OCC1=CC(=O)[C@]2(C/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)O[C@@H]2[C@@H]1O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0054856" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "VRIIXNNVXVVXAW-SQQMQPSLSA-N": { "inchikey": "VRIIXNNVXVVXAW-SQQMQPSLSA-N", "inchikey2D": "VRIIXNNVXVVXAW", "names": [ "(2r,3e)-n-[(2s,3r,4e,8e)-1,3-dihydroxy-9-methylicosa-4,8-dien-2-yl]-2-hydroxyhexadec-3-enimidic acid", "Asperamide A" ], "molecular_formula": "C37H69NO4", "smiles": "CCCCCCCCCCCC/C=C/[C@@H](O)C(O)=N[C@@H](CO)[C@H](O)/C=C/CC/C=C(\\C)CCCCCCCCCCC", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0068556", "npaid": "NPA002931" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "STUMFFBVBKIJSG-UHFFFAOYSA-N": { "inchikey": "STUMFFBVBKIJSG-UHFFFAOYSA-N", "inchikey2D": "STUMFFBVBKIJSG", "names": [ "2-(6-ethoxy-6-oxohexyl)-3-methylidenebutanedioic acid", "Tensyuic acid C" ], "molecular_formula": "C13H20O6", "smiles": "C=C(C(=O)O)C(CCCCCC(=O)OCC)C(=O)O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0051931", "npaid": "NPA000140" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "ZNJXRPDYPGYTCI-UHFFFAOYSA-N": { "inchikey": "ZNJXRPDYPGYTCI-UHFFFAOYSA-N", "inchikey2D": "ZNJXRPDYPGYTCI", "names": [ "[2,5-dioxo-6-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate" ], "molecular_formula": "C24H32O5", "smiles": "CC(=O)OCC1=CC(=O)C2(CC=C(C)CCC=C(C)CCC=C(C)C)OC2C1=O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0043119" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "FWBIJYAFBSWBPA-UHFFFAOYSA-N": { "inchikey": "FWBIJYAFBSWBPA-UHFFFAOYSA-N", "inchikey2D": "FWBIJYAFBSWBPA", "names": [ "3-({6-benzyl-1-[1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]-4-oxopyridine-3-carbonyl}-c-hydroxycarbonimidoyl)-2-methylpropanoic acid" ], "molecular_formula": "C32H30N2O8", "smiles": "COc1cc(C(Cc2ccccc2)n2cc(C(=O)N=C(O)CC(C)C(=O)O)c(=O)cc2Cc2ccccc2)oc(=O)c1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0266773" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "MNXQOIADDWQXHH-UHFFFAOYSA-N": { "inchikey": "MNXQOIADDWQXHH-UHFFFAOYSA-N", "inchikey2D": "MNXQOIADDWQXHH", "names": [ "[2-hydroxy-5-oxo-6-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl 3-hydroxy-3-methyl-5-oxohexanoate" ], "molecular_formula": "C29H42O7", "smiles": "CC(=O)CC(C)(O)CC(=O)OCC1=CC(=O)C2(CC=C(C)CCC=C(C)CCC=C(C)C)OC2C1O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0052186" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "GEIAHRUFSQGALU-UHFFFAOYSA-N": { "inchikey": "GEIAHRUFSQGALU-UHFFFAOYSA-N", "inchikey2D": "GEIAHRUFSQGALU", "names": [ "3-acetyl-4,4a,6,7,12a-pentahydroxy-9-methoxy-1,12-dihydrotetracene-2,5-dione", "BMS-192548" ], "molecular_formula": "C21H18O9", "smiles": "COc1cc(O)c2c(O)c3c(cc2c1)CC1(O)CC(=O)C(C(C)=O)=C(O)C1(O)C3=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0259401", "npaid": "NPA002516" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "AUXUIWMAFZEZRF-DAUDNIGISA-N": { "inchikey": "AUXUIWMAFZEZRF-DAUDNIGISA-N", "inchikey2D": "AUXUIWMAFZEZRF", "names": [ "(1r,2r,6r)-6-[(2e,6e,10e)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-3-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl acetate" ], "molecular_formula": "C24H34O6", "smiles": "CC(=O)O[C@@H]1C(CO)=CC(=O)[C@]2(C/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CO)O[C@H]12", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0244853" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "TZODYIWCRGWHQB-KFGODFMUSA-N": { "inchikey": "TZODYIWCRGWHQB-KFGODFMUSA-N", "inchikey2D": "TZODYIWCRGWHQB", "names": [ "(1r,4s,7s,10r,13r)-10-isopropyl-4,7-bis(2-methylpropyl)-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaene-3,6,9,12,18-pentol" ], "molecular_formula": "C23H39N5O5S2", "smiles": "CC(C)C[C@@H]1N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](C(C)C)N=C(O)[C@@H]2CSSC[C@H](N=C1O)C(O)=N2", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0270298" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "CPVCVIXCXKPURM-UHFFFAOYSA-N": { "inchikey": "CPVCVIXCXKPURM-UHFFFAOYSA-N", "inchikey2D": "CPVCVIXCXKPURM", "names": [ "6-benzyl-1-[1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]-4-oxopyridine-3-carboximidic acid" ], "molecular_formula": "C27H24N2O5", "smiles": "COc1cc(C(Cc2ccccc2)n2cc(C(=N)O)c(=O)cc2Cc2ccccc2)oc(=O)c1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0264757" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "UIOKWKMSXOTETD-UHFFFAOYSA-N": { "inchikey": "UIOKWKMSXOTETD-UHFFFAOYSA-N", "inchikey2D": "UIOKWKMSXOTETD", "names": [ "2-heptylidenebutanedioic acid" ], "molecular_formula": "C11H18O4", "smiles": "CCCCCCC=C(CC(=O)O)C(=O)O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0016051" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "PSZQAADQIISAEV-UHFFFAOYSA-N": { "inchikey": "PSZQAADQIISAEV-UHFFFAOYSA-N", "inchikey2D": "PSZQAADQIISAEV", "names": [ "methyl 1,3-dihydroxy-2,5-bis(4-hydroxyphenyl)-4-oxocyclopent-2-ene-1-carboxylate" ], "molecular_formula": "C19H16O7", "smiles": "COC(=O)C1(O)C(c2ccc(O)cc2)=C(O)C(=O)C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0025926" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "BVFQDPRIMUDOQZ-PJZRHBIJSA-N": { "inchikey": "BVFQDPRIMUDOQZ-PJZRHBIJSA-N", "inchikey2D": "BVFQDPRIMUDOQZ", "names": [ "(2r,4r,5e)-6-[(2s,5s)-5-[(1s)-1-hydroxyethyl]-5-methyloxolan-2-yl]-2,4-dimethylhept-5-enoic acid" ], "molecular_formula": "C16H28O4", "smiles": "C/C(=C\\[C@H](C)C[C@@H](C)C(=O)O)[C@@H]1CC[C@@](C)([C@H](C)O)O1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0009435" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "SIZIWNVEXFRCBS-JRJVTICQSA-N": { "inchikey": "SIZIWNVEXFRCBS-JRJVTICQSA-N", "inchikey2D": "SIZIWNVEXFRCBS", "names": [ "6-{[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one", "Rubrofusarin-6-O-α-D-ribofuranoside" ], "molecular_formula": "C20H20O9", "smiles": "COc1cc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2c(O)c3c(=O)cc(C)oc3cc2c1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0003604", "npaid": "NPA016264" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "KDUMGDGPRAORNS-GATZFSJFSA-N": { "inchikey": "KDUMGDGPRAORNS-GATZFSJFSA-N", "inchikey2D": "KDUMGDGPRAORNS", "names": [ "(2r,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6r)-2-{[(2r,3r,4s,5r,6r)-2-{[(2r,3r,4s,5r,6r)-2-{[(2r,3r,4s,5r,6r)-2-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2s,3r,4s,5r,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol" ], "molecular_formula": "C42H72O36", "smiles": "OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@H](O[C@H]5[C@H](O)[C@@H](CO)O[C@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@H](O[C@@H]7[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]7O)[C@@H]6O)[C@@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0019417" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus 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"C16H14O5", "smiles": "COc1cc(OC)c2c(c1)cc(O)c1c(=O)cc(C)oc12", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0007881", "npaid": "NPA006099" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "NMEGHQQRWKBPQO-UHFFFAOYSA-N": { "inchikey": "NMEGHQQRWKBPQO-UHFFFAOYSA-N", "inchikey2D": "NMEGHQQRWKBPQO", "names": [ "5-hydroxy-1-methyl-2-(5,7,11-trimethyltrideca-1,3,7,9-tetraen-1-yl)-3,7-dioxabicyclo[4.1.0]heptan-4-one" ], "molecular_formula": "C22H32O4", "smiles": "CCC(C)C=CC=C(C)CC(C)C=CC=CC1OC(=O)C(O)C2OC12C", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0023020" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "ZZQHIJBWKLPGSP-YTTGMZPUSA-N": { "inchikey": "ZZQHIJBWKLPGSP-YTTGMZPUSA-N", "inchikey2D": "ZZQHIJBWKLPGSP", "names": [ "(2s)-2,5-dihydroxy-10-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl}-6,8-dimethoxy-2-methyl-3h-naphtho[2,3-b]pyran-4-one", "2-hydroxydihydronigerone" ], "molecular_formula": "C32H28O11", "smiles": "COc1cc(OC)c2c(O)c3c(c(-c4c5cc(OC)cc(OC)c5c(O)c5c(=O)cc(C)oc45)c2c1)O[C@](C)(O)CC3=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0059942", "npaid": "NPA011688" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "FNYGZAACUPOPCK-WQHCGRRMSA-N": { "inchikey": "FNYGZAACUPOPCK-WQHCGRRMSA-N", "inchikey2D": "FNYGZAACUPOPCK", "names": [ "(3s)-3-hydroxy-5-{[(1r,2r,6r)-2-hydroxy-5-oxo-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methoxy}-3-methyl-5-oxopentanoic acid" ], "molecular_formula": "C28H40O8", "smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]12O[C@@H]1[C@H](O)C(COC(=O)C[C@@](C)(O)CC(=O)O)=CC2=O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0000347" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "ZMTXIFCPSXJBPW-UHFFFAOYSA-N": { "inchikey": "ZMTXIFCPSXJBPW-UHFFFAOYSA-N", "inchikey2D": "ZMTXIFCPSXJBPW", "names": [ "2-(6-methoxy-6-oxohexyl)-3-methylidenebutanedioic acid", "Tensyuic acid B" ], "molecular_formula": "C12H18O6", "smiles": "C=C(C(=O)O)C(CCCCCC(=O)OC)C(=O)O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0011067", "npaid": "NPA016562" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "GGSHHBZFOCFAIS-UHFFFAOYSA-N": { "inchikey": "GGSHHBZFOCFAIS-UHFFFAOYSA-N", "inchikey2D": "GGSHHBZFOCFAIS", "names": [ "tensidol a" ], "molecular_formula": "C13H11NO3", "smiles": "Oc1coc2c1c(O)cn2Cc1ccccc1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0024395" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "URXBIEAAUGXNIJ-VSKRKVRLSA-N": { "inchikey": "URXBIEAAUGXNIJ-VSKRKVRLSA-N", "inchikey2D": "URXBIEAAUGXNIJ", "names": [ "(1r,5s,6r)-5-hydroxy-4-methoxy-1-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-one", "Yanuthone X2" ], "molecular_formula": "C22H32O4", "smiles": "COC1=CC(=O)[C@]2(CC=C(C)CCC=C(C)CCC=C(C)C)O[C@@H]2[C@@H]1O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0003449", "npaid": "NPA011530" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "OALBJWDVDNROSF-VMZHVLLKSA-N": { "inchikey": "OALBJWDVDNROSF-VMZHVLLKSA-N", "inchikey2D": "OALBJWDVDNROSF", "names": [ "(7r)-3,5,7-trihydroxy-2-[(1e)-prop-1-en-1-yl]-7h-pyrano[2,3-c]pyrrol-4-one", "Pyranonigrin A" ], "molecular_formula": "C10H9NO5", "smiles": "C/C=C/c1oc2c(c(=O)c1O)C(O)=N[C@@H]2O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0012447", "npaid": "NPA012801" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "NMEGHQQRWKBPQO-IMNRXHEYSA-N": { "inchikey": "NMEGHQQRWKBPQO-IMNRXHEYSA-N", "inchikey2D": "NMEGHQQRWKBPQO", "names": [ "(1r,2r,5r,6s)-5-hydroxy-1-methyl-2-[(1e,3e,5r,7e,9e,11s)-5,7,11-trimethyltrideca-1,3,7,9-tetraen-1-yl]-3,7-dioxabicyclo[4.1.0]heptan-4-one", "Nafuredin" ], "molecular_formula": "C22H32O4", "smiles": "CC[C@H](C)/C=C/C=C(\\C)C[C@@H](C)/C=C/C=C/[C@H]1OC(=O)[C@H](O)[C@@H]2O[C@@]21C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0006001", "npaid": "NPA014533" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "IJPVERCOVSUXRV-UHFFFAOYSA-N": { "inchikey": "IJPVERCOVSUXRV-UHFFFAOYSA-N", "inchikey2D": "IJPVERCOVSUXRV", "names": [ "2-{[2-({2-[(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol" ], "molecular_formula": "C36H62O31", "smiles": "OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)C(CO)OC(OC5C(O)C(CO)OC(OC6C(O)C(O)OC(CO)C6O)C5O)C4O)C3O)C2O)C(O)C(O)C1O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0231651" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "PIXYPRXKMCTYQV-UHFFFAOYSA-N": { "inchikey": "PIXYPRXKMCTYQV-UHFFFAOYSA-N", "inchikey2D": "PIXYPRXKMCTYQV", "names": [ "10-isopropyl-4,7-bis(sec-butyl)-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaene-3,6,9,12,18-pentol" ], "molecular_formula": "C23H39N5O5S2", "smiles": "CCC(C)C1N=C(O)C(C(C)C)N=C(O)C2CSSCC(N=C(O)C(C(C)CC)N=C1O)C(O)=N2", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0030836" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "WLJVXDMOQOGPHL-UHFFFAOYSA-N": { "inchikey": "WLJVXDMOQOGPHL-UHFFFAOYSA-N", "inchikey2D": "WLJVXDMOQOGPHL", "names": [ "ω-phenylacetic acid" ], "molecular_formula": "C8H8O2", "smiles": "O=C(O)Cc1ccccc1", "species": [ "[query-hint] Aspergillus niger", "[query-hint] Phallus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0091846" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Phallus==Phallus" ] }, "DOKAHTTXUSOTHL-SMIHKQSGSA-N": { "inchikey": "DOKAHTTXUSOTHL-SMIHKQSGSA-N", "inchikey2D": "DOKAHTTXUSOTHL", "names": [ "(1r,2r,6r)-3-methyl-5-oxo-6-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-yl acetate", "Yanuthone K" ], "molecular_formula": "C24H34O4", "smiles": "CC(=O)O[C@@H]1C(C)=CC(=O)[C@]2(CC=C(C)CCC=C(C)CCC=C(C)C)O[C@H]12", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0015187", "npaid": "NPA007543" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "UDCFQVYVEMPFKM-UHFFFAOYSA-N": { "inchikey": "UDCFQVYVEMPFKM-UHFFFAOYSA-N", "inchikey2D": "UDCFQVYVEMPFKM", "names": [ "6-(11-hydroxy-3,7,11-trimethyldodeca-2,6-dien-1-yl)-3-methyl-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl acetate" ], "molecular_formula": "C24H36O5", "smiles": "CC(=O)OC1C(C)=CC(=O)C2(CC=C(C)CCC=C(C)CCCC(C)(C)O)OC12", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0012757" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "KDUMGDGPRAORNS-UHFFFAOYSA-N": { "inchikey": "KDUMGDGPRAORNS-UHFFFAOYSA-N", "inchikey2D": "KDUMGDGPRAORNS", "names": [ "2-[(2-{[2-({2-[(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol" ], "molecular_formula": "C42H72O36", "smiles": "OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)C(CO)OC(OC5C(O)C(CO)OC(OC6C(O)C(CO)OC(OC7C(O)C(O)OC(CO)C7O)C6O)C5O)C4O)C3O)C2O)C(O)C(O)C1O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0019386" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "VIQIWSBCQXGDOC-UHFFFAOYSA-N": { "inchikey": "VIQIWSBCQXGDOC-UHFFFAOYSA-N", "inchikey2D": "VIQIWSBCQXGDOC", "names": [ "1,2,6-trihydroxy-3-methoxy-5-(prop-1-en-1-yl)pyrano[3,2-b]pyrrol-7-one" ], "molecular_formula": "C11H11NO6", "smiles": "CC=Cc1oc2c(OC)c(O)n(O)c2c(=O)c1O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0226993" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "DFYGVGBRRIMUSH-QMMMGPOBSA-N": { "inchikey": "DFYGVGBRRIMUSH-QMMMGPOBSA-N", "inchikey2D": "DFYGVGBRRIMUSH", "names": [ "(2s)-2-(4-ethoxy-4-oxobutyl)-3-methylidenebutanedioic acid" ], "molecular_formula": "C11H16O6", "smiles": "C=C(C(=O)O)[C@H](CCCC(=O)OCC)C(=O)O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0070997" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "NLLRTVRDMOKHDF-RMMMMZSOSA-N": { "inchikey": "NLLRTVRDMOKHDF-RMMMMZSOSA-N", "inchikey2D": "NLLRTVRDMOKHDF", "names": [ "asnipyrone b" ], "molecular_formula": "C20H20O3", "smiles": "COc1cc(/C=C/C(C)=C/C(C)=C/c2ccccc2)oc(=O)c1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0243429" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "ZMTXIFCPSXJBPW-SECBINFHSA-N": { "inchikey": "ZMTXIFCPSXJBPW-SECBINFHSA-N", "inchikey2D": "ZMTXIFCPSXJBPW", "names": [ "(2r)-2-(6-methoxy-6-oxohexyl)-3-methylidenebutanedioic acid" ], "molecular_formula": "C12H18O6", "smiles": "C=C(C(=O)O)[C@@H](CCCCCC(=O)OC)C(=O)O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0098073" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "VIQIWSBCQXGDOC-ONEGZZNKSA-N": { "inchikey": "VIQIWSBCQXGDOC-ONEGZZNKSA-N", "inchikey2D": "VIQIWSBCQXGDOC", "names": [ "1,2,6-trihydroxy-3-methoxy-5-[(1e)-prop-1-en-1-yl]pyrano[3,2-b]pyrrol-7-one" ], "molecular_formula": "C11H11NO6", "smiles": "C/C=C/c1oc2c(OC)c(O)n(O)c2c(=O)c1O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0098318" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "NLLRTVRDMOKHDF-CUEQUERMSA-N": { "inchikey": "NLLRTVRDMOKHDF-CUEQUERMSA-N", "inchikey2D": "NLLRTVRDMOKHDF", "names": [ "Nigerapyrone F", "nigerapyrone f" ], "molecular_formula": "C20H20O3", "smiles": "COc1cc(/C=C/C(C)=C/C(C)=C\\c2ccccc2)oc(=O)c1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0027612", "npaid": "NPA011379" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "VFMQMACUYWGDOJ-UHFFFAOYSA-N": { "inchikey": "VFMQMACUYWGDOJ-UHFFFAOYSA-N", "inchikey2D": "VFMQMACUYWGDOJ", "names": [ "n-[1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]ethanimidic acid" ], "molecular_formula": "C16H17NO4", "smiles": "COc1cc(C(Cc2ccccc2)N=C(C)O)oc(=O)c1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0030054" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "FNYGZAACUPOPCK-UUISPAEBSA-N": { "inchikey": "FNYGZAACUPOPCK-UUISPAEBSA-N", "inchikey2D": "FNYGZAACUPOPCK", "names": [ "3-hydroxy-5-{[(1r,2r,6r)-2-hydroxy-5-oxo-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methoxy}-3-methyl-5-oxopentanoic acid" ], "molecular_formula": "C28H40O8", "smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]12O[C@@H]1[C@H](O)C(COC(=O)CC(C)(O)CC(=O)O)=CC2=O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0108102" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "CESUCQNBEIJPAL-UHFFFAOYSA-N": { "inchikey": "CESUCQNBEIJPAL-UHFFFAOYSA-N", "inchikey2D": "CESUCQNBEIJPAL", "names": [ "4-({1-[(1-{[1-({1-[(1-{[1-({1-[(5-amino-1-{[2-carboxy-1-(c-hydroxycarbonimidoyl)ethyl]-c-hydroxycarbonimidoyl}pentyl)-c-hydroxycarbonimidoyl]-4-carbamimidamidobutyl}-c-hydroxycarbonimidoyl)-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}-2-hydroxypropyl)-c-hydroxycarbonimidoyl]-2-sulfanylethyl}-c-hydroxycarbonimidoyl)-2-hydroxypropyl]-c-hydroxycarbonimidoyl}-2-(c-hydroxycarbonimidoyl)ethyl)-c-hydroxycarbonimidoyl]-2-(3h-imidazol-4-yl)ethyl}-c-hydroxycarbonimidoyl)-4-[(2-{[2-({2-[(2-{[2-({2-[(2-{[6-amino-2-({2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-1,3-dihydroxypropylidene}amino)-1-hydroxyhexylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene)amino]-1-hydroxyethylidene}amino)-1-hydroxyethylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-1-hydroxy-3-sulfanylpropylidene}amino)-1,3-dihydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene)amino]butanoic acid", "Anafp" ], "molecular_formula": "C96H151N29O33S2", "smiles": "CC(C)CC(N)C(O)=NC(CO)C(O)=NC(CCCCN)C(O)=NC(Cc1ccc(O)cc1)C(O)=NCC(O)=NCC(O)=NC(CCC(=O)O)C(O)=NC(CS)C(O)=NC(CO)C(O)=NC(CC(C)C)C(O)=NC(CCC(=O)O)C(O)=NC(Cc1cnc[nH]1)C(O)=NC(CC(=N)O)C(O)=NC(C(O)=NC(CS)C(O)=NC(C(O)=NC(Cc1ccc(O)cc1)C(O)=NC(CCCNC(=N)N)C(O)=NC(CCCCN)C(O)=NC(CC(=O)O)C(=N)O)C(C)O)C(C)O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0004739", "npaid": "NPA002063" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "CALVKRPXUXOBQH-UHFFFAOYSA-N": { "inchikey": "CALVKRPXUXOBQH-UHFFFAOYSA-N", "inchikey2D": "CALVKRPXUXOBQH", "names": [ "methyl 8-hydroxy-3-methyldec-4-enoate" ], "molecular_formula": "C12H22O3", "smiles": "CCC(O)CCC=CC(C)CC(=O)OC", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0024600" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "LDZBUYXPAQBTQJ-UHFFFAOYSA-N": { "inchikey": "LDZBUYXPAQBTQJ-UHFFFAOYSA-N", "inchikey2D": "LDZBUYXPAQBTQJ", "names": [ "tensidol b" ], "molecular_formula": "C18H17NO6", "smiles": "CC(CC(=O)Oc1cn(Cc2ccccc2)c2occ(O)c12)C(=O)O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0039351" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "OYNYZDMUQNAANI-UHFFFAOYSA-N": { "inchikey": "OYNYZDMUQNAANI-UHFFFAOYSA-N", "inchikey2D": "OYNYZDMUQNAANI", "names": [ "3-(hydroxymethyl)-5-oxo-6-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-yl acetate" ], "molecular_formula": "C24H34O5", "smiles": "CC(=O)OC1C(CO)=CC(=O)C2(CC=C(C)CCC=C(C)CCC=C(C)C)OC12", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0109456" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "UOIRNFVLBXIGKH-SNAWJCMRSA-N": { "inchikey": "UOIRNFVLBXIGKH-SNAWJCMRSA-N", "inchikey2D": "UOIRNFVLBXIGKH", "names": [ "3-hydroxy-2-(c-hydroxycarbonimidoyl)-6-methoxy-5-methyl-4-[(1e)-prop-1-en-1-yl]benzoic acid", "Nigerloxin" ], "molecular_formula": "C13H15NO5", "smiles": "C/C=C/c1c(C)c(OC)c(C(=O)O)c(C(=N)O)c1O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0112107", "npaid": "NPA015913" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "JNANCCREFMIVHM-UHFFFAOYSA-N": { "inchikey": "JNANCCREFMIVHM-UHFFFAOYSA-N", "inchikey2D": "JNANCCREFMIVHM", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C28H42O", "smiles": "CC(C)C(C)C=CC(C)C1CC=C2C3=CC=C4CC(O)CCC4(C)C3CCC21C", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0026798" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "NXKIAZOEVGWPKT-UHFFFAOYSA-N": { "inchikey": "NXKIAZOEVGWPKT-UHFFFAOYSA-N", "inchikey2D": "NXKIAZOEVGWPKT", "names": [ "5-hydroxy-4-(hydroxymethyl)-1-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-one" ], "molecular_formula": "C22H32O4", "smiles": "CC(C)=CCCC(C)=CCCC(C)=CCC12OC1C(O)C(CO)=CC2=O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0110117" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "CALVKRPXUXOBQH-BZCKNUJPSA-N": { "inchikey": "CALVKRPXUXOBQH-BZCKNUJPSA-N", "inchikey2D": "CALVKRPXUXOBQH", "names": [ "methyl (3r,4e,8s)-8-hydroxy-3-methyldec-4-enoate" ], "molecular_formula": "C12H22O3", "smiles": "CC[C@H](O)CC/C=C/[C@H](C)CC(=O)OC", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0251334" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "ZLLURFBMQBIVMQ-UHFFFAOYSA-N": { "inchikey": "ZLLURFBMQBIVMQ-UHFFFAOYSA-N", "inchikey2D": "ZLLURFBMQBIVMQ", "names": [ "4-benzyl-1-[1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]-6-oxopyridine-3-carboximidic acid" ], "molecular_formula": "C27H24N2O5", "smiles": "COc1cc(C(Cc2ccccc2)n2cc(C(=N)O)c(Cc3ccccc3)cc2=O)oc(=O)c1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0048276" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "UUQINGLDFWYORW-UHFFFAOYSA-N": { "inchikey": "UUQINGLDFWYORW-UHFFFAOYSA-N", "inchikey2D": "UUQINGLDFWYORW", "names": [ "2-({2-[(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol" ], "molecular_formula": "C30H52O26", "smiles": "OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)C(CO)OC(OC5C(O)C(O)OC(CO)C5O)C4O)C3O)C2O)C(O)C(O)C1O", "species": [ "[query-hint] Aspergillus niger", "[query-hint] Lentinula" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0133991" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Lentinula==Lentinula" ] }, "JYRSHQHBOCBIJL-KJGWEBLQSA-N": { "inchikey": "JYRSHQHBOCBIJL-KJGWEBLQSA-N", "inchikey2D": "JYRSHQHBOCBIJL", "names": [ "(1s,4r,7r,9s)-6-hydroxy-9-[(1s,4r,7r,9s)-6-hydroxy-4-isopropyl-3-oxo-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-9-yl]-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one", "Not named" ], "molecular_formula": "C33H38N6O4", "smiles": "CC(C)C[C@H]1N=C(O)[C@H]2C[C@@]3([C@@]45C[C@@H]6C(O)=N[C@H](C(C)C)C(=O)N6[C@@H]4Nc4ccccc45)c4ccccc4N[C@H]3N2C1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0043342", "npaid": "NPA003440" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "KRQRRZFXHYYNSO-MTSZKFMLSA-N": { "inchikey": "KRQRRZFXHYYNSO-MTSZKFMLSA-N", "inchikey2D": "KRQRRZFXHYYNSO", "names": [ "(1s,4s,7r,10s,13s)-4,10-diisopropyl-7-(2-methylpropyl)-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaene-3,6,9,12,18-pentol", "Malformin A2" ], "molecular_formula": "C22H37N5O5S2", "smiles": "CC(C)C[C@H]1N=C(O)[C@H](C(C)C)N=C(O)[C@H]2CSSC[C@@H](N=C(O)[C@H](C(C)C)N=C1O)C(O)=N2", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0018979", "npaid": "NPA018745" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "LCPDWSOZIOUXRV-UHFFFAOYSA-N": { "inchikey": "LCPDWSOZIOUXRV-UHFFFAOYSA-N", "inchikey2D": "LCPDWSOZIOUXRV", "names": [ "phenoxyacetic acid" ], "molecular_formula": "C8H8O3", "smiles": "O=C(O)COc1ccccc1", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0106556" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "COOVLPUBLIXDHW-UHFFFAOYSA-N": { "inchikey": "COOVLPUBLIXDHW-UHFFFAOYSA-N", "inchikey2D": "COOVLPUBLIXDHW", "names": [ "7,10-diisopropyl-4-(2-methylpropyl)-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaene-3,6,9,12,18-pentol" ], "molecular_formula": "C22H37N5O5S2", "smiles": "CC(C)CC1N=C(O)C(C(C)C)N=C(O)C(C(C)C)N=C(O)C2CSSCC(N=C1O)C(O)=N2", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0120711" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "QNRKTRKCMAQCAK-SBIWHPGTSA-N": { "inchikey": "QNRKTRKCMAQCAK-SBIWHPGTSA-N", "inchikey2D": "QNRKTRKCMAQCAK", "names": [ "Nigerapyrone D", "nigerapyrone d" ], "molecular_formula": "C14H16O4", "smiles": "COc1cc(/C=C/C(C)=C/C(C)=O)oc(=O)c1C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0107305", "npaid": "NPA015983" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "KMNUJIARVHVQCF-UHFFFAOYSA-N": { "inchikey": "KMNUJIARVHVQCF-UHFFFAOYSA-N", "inchikey2D": "KMNUJIARVHVQCF", "names": [ "8-methyl-13-phenyltrideca-4,6,8,10,12-pentaen-3-one" ], "molecular_formula": "C20H22O", "smiles": "CCC(=O)C=CC=CC(C)=CC=CC=Cc1ccccc1", "species": [ "[query-hint] Aspergillus niger", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0107220" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger", "INCLUDE:Phellinus==Phellinus" ] }, "KCSKCIQYNAOBNQ-KBUMHGCDSA-N": { "inchikey": "KCSKCIQYNAOBNQ-KBUMHGCDSA-N", "inchikey2D": "KCSKCIQYNAOBNQ", "names": [ "(3as,4s,5s,6ar)-4-(4-carboxybutyl)-2-hydroxy-3h,3ah,4h,6h,6ah-thieno[3,4-d]imidazol-5-ium-5-olate" ], "molecular_formula": "C10H16N2O4S", "smiles": "O=C(O)CCCC[C@H]1[C@H]2NC(O)=N[C@H]2C[S@@+]1[O-]", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0045334" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "UYOJPIPBTQKANX-JTQLQIEISA-N": { "inchikey": "UYOJPIPBTQKANX-JTQLQIEISA-N", "inchikey2D": "UYOJPIPBTQKANX", "names": [ "(3s)-9-methoxy-3-(methoxycarbonyl)-2-methylidene-9-oxononanoic acid" ], "molecular_formula": "C13H20O6", "smiles": "C=C(C(=O)O)[C@H](CCCCCC(=O)OC)C(=O)OC", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0229340" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "JHRSKIPBFMBFDI-UHFFFAOYSA-N": { "inchikey": "JHRSKIPBFMBFDI-UHFFFAOYSA-N", "inchikey2D": "JHRSKIPBFMBFDI", "names": [ "2,6-dihydroxy-5-(prop-1-en-1-yl)-1h,2h-pyrano[3,2-b]pyrrole-3,7-dione" ], "molecular_formula": "C10H9NO5", "smiles": "CC=Cc1oc2c(c(=O)c1O)NC(O)C2=O", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0117202" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "FETKGWYJMCJTFQ-UHFFFAOYSA-N": { "inchikey": "FETKGWYJMCJTFQ-UHFFFAOYSA-N", "inchikey2D": "FETKGWYJMCJTFQ", "names": [ "4-benzyl-9-{3-[(5-benzyl-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)methyl]indol-1-yl}-6-hydroxy-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one" ], "molecular_formula": "C40H36N6O4", "smiles": "O=C1C(Cc2ccccc2)N=C(O)C2CC3(n4cc(CC5N=C(O)C(Cc6ccccc6)N=C5O)c5ccccc54)c4ccccc4NC3N12", "species": [ "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0048373" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "RUUZDCZRFRLJFC-UHFFFAOYSA-N": { "inchikey": "RUUZDCZRFRLJFC-UHFFFAOYSA-N", "inchikey2D": "RUUZDCZRFRLJFC", "names": [ "6-benzyl-4-oxo-1h-pyridine-3-carboximidic acid", "Aspernigrin A" ], "molecular_formula": "C13H12N2O2", "smiles": "N=C(O)c1c[nH]c(Cc2ccccc2)cc1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0256390", "npaid": "NPA008745" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "CPKOINXTFBNYMW-JTQLQIEISA-N": { "inchikey": "CPKOINXTFBNYMW-JTQLQIEISA-N", "inchikey2D": "CPKOINXTFBNYMW", "names": [ "(3s)-9-hydroxy-3-(methoxycarbonyl)-2-methylidenenonanoic acid", "Asperitaconic acid A" ], "molecular_formula": "C12H20O5", "smiles": "C=C(C(=O)O)[C@H](CCCCCCO)C(=O)OC", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus niger" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0111168", "npaid": "NPA021800" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus niger==Aspergillus niger" ] }, "ZRWPUFFVAOMMNM-UHFFFAOYSA-N": { "inchikey": "ZRWPUFFVAOMMNM-UHFFFAOYSA-N", "inchikey2D": "ZRWPUFFVAOMMNM", "names": [ "Patulin", "patulin" ], "molecular_formula": "C7H6O4", "smiles": "O=C1C=C2C(=CCOC2O)O1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Aspergillus oryzae", "[query-hint] Penicillium chrysogenum", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0191045", "npaid": "NPA020289" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "WLAIEIMDXUAGPY-HSECPPETSA-N": { "inchikey": "WLAIEIMDXUAGPY-HSECPPETSA-N", "inchikey2D": "WLAIEIMDXUAGPY", "names": [ "2-[(1s,2s,5s,7s,10s,11r,14s)-1,2,10-trimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-16(24),17,19,21-tetraen-7-yl]propan-2-ol" ], "molecular_formula": "C28H39NO2", "smiles": "CC(C)(O)[C@@H]1CC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0210804" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "AMKYESDOVDKZKV-UHFFFAOYSA-N": { "inchikey": "AMKYESDOVDKZKV-UHFFFAOYSA-N", "inchikey2D": "AMKYESDOVDKZKV", "names": [ "orsellinic acid" ], "molecular_formula": "C8H8O4", "smiles": "Cc1cc(O)cc(O)c1C(=O)O", "species": [ "[query-hint] Aspergillus oryzae", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0017518" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae", "GREY:Aspergillus terreus" ] }, "BEJNERDRQOWKJM-UHFFFAOYSA-N": { "inchikey": "BEJNERDRQOWKJM-UHFFFAOYSA-N", "inchikey2D": "BEJNERDRQOWKJM", "names": [ "kojic acid" ], "molecular_formula": "C6H6O4", "smiles": "O=c1cc(CO)occ1O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0125477" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "OSPHTXUUCFLMQA-VIFPVBQESA-N": { "inchikey": "OSPHTXUUCFLMQA-VIFPVBQESA-N", "inchikey2D": "OSPHTXUUCFLMQA", "names": [ "6,8-dihydroxy-3-[(2r)-2-hydroxy-4-oxopentyl]isochromen-1-one" ], "molecular_formula": "C14H14O6", "smiles": "CC(=O)C[C@H](O)Cc1cc2cc(O)cc(O)c2c(=O)o1", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0134673" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "MPNUEXKJZLBKEI-ADNQPUJWSA-N": { "inchikey": "MPNUEXKJZLBKEI-ADNQPUJWSA-N", "inchikey2D": "MPNUEXKJZLBKEI", "names": [ "(1s,2s,4as,6s,8ar)-6-(1h-indol-3-ylmethyl)-1,4a-dimethyl-5-methylidene-1-(4-methylpent-3-en-1-yl)-hexahydro-2h-naphthalen-2-ol" ], "molecular_formula": "C28H39NO", "smiles": "C=C1[C@H](Cc2c[nH]c3ccccc23)CC[C@@H]2[C@]1(C)CC[C@H](O)[C@@]2(C)CCC=C(C)C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0197309" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "XOLHQUYGSUGTQA-DFGZTGKASA-N": { "inchikey": "XOLHQUYGSUGTQA-DFGZTGKASA-N", "inchikey2D": "XOLHQUYGSUGTQA", "names": [ "(1s,12s,15r,16s,17s,20s)-1,16,20-trimethyl-16-(4-methylpent-3-en-1-yl)-3-azapentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosa-2(10),4,6,8-tetraen-17-ol" ], "molecular_formula": "C28H39NO", "smiles": "CC(C)=CCC[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4ccccc34)[C@@]12C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0096602" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "WQLADPPAYVUSAB-VSUSBFIXSA-N": { "inchikey": "WQLADPPAYVUSAB-VSUSBFIXSA-N", "inchikey2D": "WQLADPPAYVUSAB", "names": [ "(1s,2s,5s,7r,9s,10r,13s)-1,2,9-trimethyl-7-(2-methylprop-1-en-1-yl)-6-oxa-22-azahexacyclo[11.10.0.0²,¹⁰.0⁵,⁹.0¹⁵,²³.0¹⁶,²¹]tricosa-15(23),16,18,20-tetraene" ], "molecular_formula": "C28H37NO", "smiles": "CC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0097442" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "OSPHTXUUCFLMQA-UHFFFAOYSA-N": { "inchikey": "OSPHTXUUCFLMQA-UHFFFAOYSA-N", "inchikey2D": "OSPHTXUUCFLMQA", "names": [ "6,8-dihydroxy-3-(2-hydroxy-4-oxopentyl)isochromen-1-one" ], "molecular_formula": "C14H14O6", "smiles": "CC(=O)CC(O)Cc1cc2cc(O)cc(O)c2c(=O)o1", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0244883" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "GYSZYWSJZCKCBD-LXGUAGHKSA-N": { "inchikey": "GYSZYWSJZCKCBD-LXGUAGHKSA-N", "inchikey2D": "GYSZYWSJZCKCBD", "names": [ "(1s,2s,5s,7r,11r,14s)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one" ], "molecular_formula": "C27H33NO3", "smiles": "CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0241117" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "MPNUEXKJZLBKEI-UHFFFAOYSA-N": { "inchikey": "MPNUEXKJZLBKEI-UHFFFAOYSA-N", "inchikey2D": "MPNUEXKJZLBKEI", "names": [ "6-(1h-indol-3-ylmethyl)-1,4a-dimethyl-5-methylidene-1-(4-methylpent-3-en-1-yl)-hexahydro-2h-naphthalen-2-ol" ], "molecular_formula": "C28H39NO", "smiles": "C=C1C(Cc2c[nH]c3ccccc23)CCC2C1(C)CCC(O)C2(C)CCC=C(C)C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0234497" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "RROPNRTUMVVUED-UHFFFAOYSA-N": { "inchikey": "RROPNRTUMVVUED-UHFFFAOYSA-N", "inchikey2D": "RROPNRTUMVVUED", "names": [ "2,5,7-trihydroxynaphthoquinone" ], "molecular_formula": "C10H6O5", "smiles": "O=C1C(O)=CC(=O)c2c(O)cc(O)cc21", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0039865" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "CNZIQHGDUXRUJS-UHFFFAOYSA-N": { "inchikey": "CNZIQHGDUXRUJS-UHFFFAOYSA-N", "inchikey2D": "CNZIQHGDUXRUJS", "names": [ "5-(1-hydroxyethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-1(17),11(18),12,14-tetraene-4,6-dione" ], "molecular_formula": "C20H20N2O3", "smiles": "CC(O)=C1C(=O)C2C3c4c[nH]c5cccc(c45)CC3C(C)(C)N2C1=O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0022591" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "UYEMGAFJOZZIFP-UHFFFAOYSA-N": { "inchikey": "UYEMGAFJOZZIFP-UHFFFAOYSA-N", "inchikey2D": "UYEMGAFJOZZIFP", "names": [ "3,5-dihydroxybenzoic acid" ], "molecular_formula": "C7H6O4", "smiles": "O=C(O)c1cc(O)cc(O)c1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0128245", "npaid": "NPA005829" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "ODKDMMTXTVCCLJ-UHFFFAOYSA-N": { "inchikey": "ODKDMMTXTVCCLJ-UHFFFAOYSA-N", "inchikey2D": "ODKDMMTXTVCCLJ", "names": [ "2-[({2-[2-amino-3-(1h-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1h-isoquinolin-3-yl}(hydroxy)methylidene)amino]-5-hydroxy-4-(hydroxymethyl)pentanoic acid" ], "molecular_formula": "C28H34N4O9", "smiles": "COc1c(O)cc2c(c1O)CN(C(=O)C(N)Cc1c[nH]c3ccccc13)C(C(O)=NC(CC(CO)CO)C(=O)O)C2", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0104901" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "UCZDOMMSHDUFIK-BWGHAJCOSA-N": { "inchikey": "UCZDOMMSHDUFIK-BWGHAJCOSA-N", "inchikey2D": "UCZDOMMSHDUFIK", "names": [ "(1s,12s,15r,16s,17s,20s)-16-(4-hydroxy-4-methylpent-2-en-1-yl)-1,16,20-trimethyl-3-azapentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosa-2(10),4,6,8-tetraen-17-ol" ], "molecular_formula": "C28H39NO2", "smiles": "CC(C)(O)C=CC[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4ccccc34)[C@@]12C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0236001" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "FBGQHXBBNVDHIX-IAGOWNOFSA-N": { "inchikey": "FBGQHXBBNVDHIX-IAGOWNOFSA-N", "inchikey2D": "FBGQHXBBNVDHIX", "names": [ "(3r,11ar)-1,7,9-trihydroxy-3-(1h-indol-3-ylmethyl)-8-methoxy-3h,6h,11h,11ah-pyrazino[1,2-b]isoquinolin-4-one", "7,9-dihydroxy-3-(1H-indol-3-ylmethyl)-8-methoxy-2,3,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline-1,4-dione" ], "molecular_formula": "C22H21N3O5", "smiles": "COc1c(O)cc2c(c1O)CN1C(=O)[C@@H](Cc3c[nH]c4ccccc34)N=C(O)[C@H]1C2", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0102462", "npaid": "NPA000286" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "KKGFMAANSDFYDF-OIHKITLTSA-N": { "inchikey": "KKGFMAANSDFYDF-OIHKITLTSA-N", "inchikey2D": "KKGFMAANSDFYDF", "names": [ "(2r,6r)-1-hydroxy-5,5,13-trimethyl-4-(3-oxobutanoyl)-4,13-diazatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-8,10,12(15)-triene-3,14-dione" ], "molecular_formula": "C20H22N2O5", "smiles": "CC(=O)CC(=O)N1C(=O)[C@@H]2[C@@H](Cc3cccc4c3C2(O)C(=O)N4C)C1(C)C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0080120" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "KPUHAJPJYZHSQY-UHFFFAOYSA-N": { "inchikey": "KPUHAJPJYZHSQY-UHFFFAOYSA-N", "inchikey2D": "KPUHAJPJYZHSQY", "names": [ "6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-hydroxybenzoate" ], "molecular_formula": "C22H26O6", "smiles": "CC1(CO)CCCC2(C)C3=C(CC(OC(=O)c4ccc(O)cc4)C12)C(=O)OC3", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0124479" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "WVYIXBYYAHYOIW-ZAIHJIDKSA-N": { "inchikey": "WVYIXBYYAHYOIW-ZAIHJIDKSA-N", "inchikey2D": "WVYIXBYYAHYOIW", "names": [ "(2s,4s)-2-({[(3s)-2-[(2r)-2-amino-3-(1h-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1h-isoquinolin-3-yl](hydroxy)methylidene}amino)-5-hydroxy-4-methylpentanoic acid" ], "molecular_formula": "C28H34N4O8", "smiles": "COc1c(O)cc2c(c1O)CN(C(=O)[C@H](N)Cc1c[nH]c3ccccc13)[C@H](C(O)=N[C@@H](C[C@H](C)CO)C(=O)O)C2", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0190551" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "WQIRGFAZJZHHBZ-UHFFFAOYSA-N": { "inchikey": "WQIRGFAZJZHHBZ-UHFFFAOYSA-N", "inchikey2D": "WQIRGFAZJZHHBZ", "names": [ "4-(3-hydroxybutanoyl)-5,5,13-trimethyl-4,13-diazatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-1,6,8,10,12(15)-pentaene-3,14-dione" ], "molecular_formula": "C20H20N2O4", "smiles": "CC(O)CC(=O)N1C(=O)c2c(cc3cccc4c3c2C(=O)N4C)C1(C)C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0073337" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "OINNEUNVOZHBOX-QIRCYJPOSA-N": { "inchikey": "OINNEUNVOZHBOX-QIRCYJPOSA-N", "inchikey2D": "OINNEUNVOZHBOX", "names": [ "geranylgeranyl diphosphate" ], "molecular_formula": "C20H36O7P2", "smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0094270" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "HUAJESHKPMHHPE-UHFFFAOYSA-N": { "inchikey": "HUAJESHKPMHHPE-UHFFFAOYSA-N", "inchikey2D": "HUAJESHKPMHHPE", "names": [ "3-{[1-({4-[(3-aminopropyl)amino]butyl}-c-hydroxycarbonimidoyl)-2-methylbutyl]-c-hydroxycarbonimidoyl}oxirane-2-carboxylic acid", "Kojistatin A" ], "molecular_formula": "C17H32N4O5", "smiles": "CCC(C)C(N=C(O)C1OC1C(=O)O)C(O)=NCCCCNCCCN", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0149256", "npaid": "NPA011883" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "JWGIPNWTSPSMIA-WTKPLQERSA-N": { "inchikey": "JWGIPNWTSPSMIA-WTKPLQERSA-N", "inchikey2D": "JWGIPNWTSPSMIA", "names": [ "(2z)-4-hydroxy-3-(7-hydroxy-4-oxochromen-3-yl)hex-2-enedioic acid", "Not named" ], "molecular_formula": "C15H12O8", "smiles": "O=C(O)/C=C(/c1coc2cc(O)ccc2c1=O)C(O)CC(=O)O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0172528", "npaid": "NPA017392" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "PTADPNLCURKKPJ-UHFFFAOYSA-N": { "inchikey": "PTADPNLCURKKPJ-UHFFFAOYSA-N", "inchikey2D": "PTADPNLCURKKPJ", "names": [ "9a-(hydroxymethyl)-6,6-dimethyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-hydroxybenzoate" ], "molecular_formula": "C22H26O6", "smiles": "CC1(C)CCCC2(CO)C3=C(CC(OC(=O)c4ccc(O)cc4)C12)C(=O)OC3", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0098099" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "NHXKXNQOTMRWNZ-DYVFJYSZSA-N": { "inchikey": "NHXKXNQOTMRWNZ-DYVFJYSZSA-N", "inchikey2D": "NHXKXNQOTMRWNZ", "names": [ "1-[(2r,6r)-5,5-dimethyl-3-oxo-4,13-diazatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-1(14),8(15),9,11-tetraen-4-yl]butane-1,3-dione" ], "molecular_formula": "C19H20N2O3", "smiles": "CC(=O)CC(=O)N1C(=O)[C@H]2c3c[nH]c4cccc(c34)C[C@H]2C1(C)C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0113377" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "VHYIXEUPLWPJOV-JZHZUCQKSA-N": { "inchikey": "VHYIXEUPLWPJOV-JZHZUCQKSA-N", "inchikey2D": "VHYIXEUPLWPJOV", "names": [ "(1s,2r,4r,5s,11s,14s,17r,18s)-17-isopropyl-4,14-dimethylpentacyclo[9.7.0.0²,⁴.0⁵,⁹.0¹⁴,¹⁸]octadec-8-ene-8,11-dicarboxylic acid" ], "molecular_formula": "C25H36O4", "smiles": "CC(C)[C@H]1CC[C@@]2(C)CC[C@]3(C(=O)O)CC4=C(C(=O)O)CC[C@H]4[C@]4(C)C[C@@H]4[C@H]3[C@H]12", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0111959" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "NXZRXKFLZZAYRA-UXFYUNLUSA-N": { "inchikey": "NXZRXKFLZZAYRA-UXFYUNLUSA-N", "inchikey2D": "NXZRXKFLZZAYRA", "names": [ "(1s,11s,12s,14s)-14-acetyl-15-hydroxy-13,13-dimethyl-4,16-diazapentacyclo[12.2.1.1⁹,¹².0²,¹¹.0⁵,¹⁰]octadeca-2,5,7,9,15-pentaen-17-one" ], "molecular_formula": "C20H20N2O3", "smiles": "CC(=O)[C@@]12C(=O)[C@@H](N=C1O)C1=CNc3cccc4c3[C@H]1[C@H](C4)C2(C)C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0100487" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "BCMKHWMDTMUUSI-UHFFFAOYSA-N": { "inchikey": "BCMKHWMDTMUUSI-UHFFFAOYSA-N", "inchikey2D": "BCMKHWMDTMUUSI", "names": [ "1,3,6,8-naphthalenetetrol" ], "molecular_formula": "C10H8O4", "smiles": "Oc1cc(O)c2c(O)cc(O)cc2c1", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0111369" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "PNQPXZZYBRYBJV-UHFFFAOYSA-N": { "inchikey": "PNQPXZZYBRYBJV-UHFFFAOYSA-N", "inchikey2D": "PNQPXZZYBRYBJV", "names": [ "5,9-dihydroxy-6,6,9a-trimethyl-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-3-one" ], "molecular_formula": "C15H22O4", "smiles": "CC1(C)CCC(O)C2(C)C3=C(CC(O)C12)C(=O)OC3", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0047060" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "UCZDOMMSHDUFIK-TWQPBVKTSA-N": { "inchikey": "UCZDOMMSHDUFIK-TWQPBVKTSA-N", "inchikey2D": "UCZDOMMSHDUFIK", "names": [ "(1s,12s,15r,16s,17s,20s)-16-[(2e)-4-hydroxy-4-methylpent-2-en-1-yl]-1,16,20-trimethyl-3-azapentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosa-2(10),4,6,8-tetraen-17-ol", "Asporyzin C" ], "molecular_formula": "C28H39NO2", "smiles": "CC(C)(O)/C=C/C[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4ccccc34)[C@@]12C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0196977", "npaid": "NPA009110" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "PCBDXYONDOCJPR-OANMRLRGSA-N": { "inchikey": "PCBDXYONDOCJPR-OANMRLRGSA-N", "inchikey2D": "PCBDXYONDOCJPR", "names": [ "(1ar,6r,7r,7ar,7br)-6-hydroxy-7,7a-dimethyl-1a-(prop-1-en-2-yl)-4h,5h,6h,7h,7bh-naphtho[1,2-b]oxiren-2-one", "Sporogen-AO 1" ], "molecular_formula": "C15H20O3", "smiles": "C=C(C)[C@@]12O[C@@H]1[C@@]1(C)C(=CC2=O)CC[C@@H](O)[C@@H]1C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0129091", "npaid": "NPA008036" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "ZYJVKDQYGKXGIF-UHFFFAOYSA-N": { "inchikey": "ZYJVKDQYGKXGIF-UHFFFAOYSA-N", "inchikey2D": "ZYJVKDQYGKXGIF", "names": [ "4-(5-acetyl-4-hydroxy-6-oxopyran-2-yl)butanoic acid", "Csypyrone B2" ], "molecular_formula": "C11H12O6", "smiles": "CC(=O)c1c(O)cc(CCCC(=O)O)oc1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0192666", "npaid": "NPA012243" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "LWMYYCFEWUUXAH-UHFFFAOYSA-N": { "inchikey": "LWMYYCFEWUUXAH-UHFFFAOYSA-N", "inchikey2D": "LWMYYCFEWUUXAH", "names": [ "2-ethanimidoyl-1-hydroxy-5,5-dimethyl-10-(methylamino)-5ah,6h-naphtho[2,3-a]pyrrolizine-3,11-dione" ], "molecular_formula": "C20H21N3O3", "smiles": "CNc1cccc2c1C(=O)C1=C3C(O)=C(C(C)=N)C(=O)N3C(C)(C)C1C2", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0143311" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "SLIPSEOUWVIWET-ZDNNFFFZSA-N": { "inchikey": "SLIPSEOUWVIWET-ZDNNFFFZSA-N", "inchikey2D": "SLIPSEOUWVIWET", "names": [ "3-[(2e,4e,6e)-6,8-dimethyldeca-2,4,6-trienoyl]-1,2-dihydroxy-5-(4-hydroxyphenyl)pyridin-4-one" ], "molecular_formula": "C23H25NO5", "smiles": "CCC(C)/C=C(C)/C=C/C=C/C(=O)c1c(O)n(O)cc(-c2ccc(O)cc2)c1=O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0202755" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "NJNVLWKPNCWDDC-BVZBXKMVSA-N": { "inchikey": "NJNVLWKPNCWDDC-BVZBXKMVSA-N", "inchikey2D": "NJNVLWKPNCWDDC", "names": [ "(2r,6r)-1,3-dihydroxy-5,5,13-trimethyl-4,13-diazatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-3,8(15),9,11-tetraen-14-one", "Speradine B", "Speradine G" ], "molecular_formula": "C16H18N2O3", "smiles": "CN1C(=O)C2(O)c3c(cccc31)C[C@@H]1[C@H]2C(O)=NC1(C)C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0173779", "npaid": "NPA008773" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "XDZIYWBMRDSUPM-OVWNDWIMSA-N": { "inchikey": "XDZIYWBMRDSUPM-OVWNDWIMSA-N", "inchikey2D": "XDZIYWBMRDSUPM", "names": [ "(3s,5s)-5,9,9,17-tetramethyl-4-oxa-8,17-diazapentacyclo[10.6.1.0²,¹⁰.0³,⁸.0¹⁶,¹⁹]nonadeca-1,10,12,14,16(19)-pentaene-7,18-dione" ], "molecular_formula": "C20H20N2O3", "smiles": "C[C@H]1CC(=O)N2[C@@H](O1)c1c(cc3cccc4c3c1C(=O)N4C)C2(C)C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0142514" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "JIFOMGQJIOWIGX-UHFFFAOYSA-N": { "inchikey": "JIFOMGQJIOWIGX-UHFFFAOYSA-N", "inchikey2D": "JIFOMGQJIOWIGX", "names": [ "5-ethanimidoyl-1,4-dihydroxy-8,8,16-trimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-4,11,13,15(18)-tetraene-6,17-dione" ], "molecular_formula": "C21H23N3O4", "smiles": "CC(=N)C1=C(O)C2C3C(Cc4cccc5c4C3(O)C(=O)N5C)C(C)(C)N2C1=O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0169425" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "ODKDMMTXTVCCLJ-BVSLBCMMSA-N": { "inchikey": "ODKDMMTXTVCCLJ-BVSLBCMMSA-N", "inchikey2D": "ODKDMMTXTVCCLJ", "names": [ "(2s)-2-({[(3s)-2-[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1h-isoquinolin-3-yl](hydroxy)methylidene}amino)-5-hydroxy-4-(hydroxymethyl)pentanoic acid", "TMC-2A" ], "molecular_formula": "C28H34N4O9", "smiles": "COc1c(O)cc2c(c1O)CN(C(=O)[C@@H](N)Cc1c[nH]c3ccccc13)[C@H](C(O)=N[C@@H](CC(CO)CO)C(=O)O)C2", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0166367", "npaid": "NPA002280" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "PISDGLMTVUSQRK-BDJLRTHQSA-N": { "inchikey": "PISDGLMTVUSQRK-BDJLRTHQSA-N", "inchikey2D": "PISDGLMTVUSQRK", "names": [ "methyl 3-[(3ar,9ar)-1,1-dimethyl-5-(methylamino)-3,4-dioxo-3ah,9h,9ah-benzo[f]isoindol-2-yl]-3-oxopropanoate" ], "molecular_formula": "C19H22N2O5", "smiles": "CNc1cccc2c1C(=O)[C@@H]1C(=O)N(C(=O)CC(=O)OC)C(C)(C)[C@@H]1C2", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0146430" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "HUAJESHKPMHHPE-CRWXNKLISA-N": { "inchikey": "HUAJESHKPMHHPE-CRWXNKLISA-N", "inchikey2D": "HUAJESHKPMHHPE", "names": [ "(2s,3s)-3-{[(1r,2s)-1-({4-[(3-aminopropyl)amino]butyl}-c-hydroxycarbonimidoyl)-2-methylbutyl]-c-hydroxycarbonimidoyl}oxirane-2-carboxylic acid" ], "molecular_formula": "C17H32N4O5", "smiles": "CC[C@H](C)[C@@H](N=C(O)[C@H]1O[C@@H]1C(=O)O)C(O)=NCCCCNCCCN", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0168384" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "KJTLQQUUPVSXIM-UHFFFAOYSA-N": { "inchikey": "KJTLQQUUPVSXIM-UHFFFAOYSA-N", "inchikey2D": "KJTLQQUUPVSXIM", "names": [ "rs-mevalonic acid" ], "molecular_formula": "C6H12O4", "smiles": "CC(O)(CCO)CC(=O)O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0153446" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "XWIYFDMXXLINPU-RBHXEPJQSA-N": { "inchikey": "XWIYFDMXXLINPU-RBHXEPJQSA-N", "inchikey2D": "XWIYFDMXXLINPU", "names": [ "(3r,7s)-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹³,¹⁸]icosa-1,4,9,11,13(18)-pentaene-17,19-dione", "Aflatoxin G1" ], "molecular_formula": "C17H12O7", "smiles": "COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@H]1C=CO[C@H]1O2", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0152770", "npaid": "NPA014300" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "FNIHUSOGDPMUFQ-RLCCDNCMSA-N": { "inchikey": "FNIHUSOGDPMUFQ-RLCCDNCMSA-N", "inchikey2D": "FNIHUSOGDPMUFQ", "names": [ "(5ar,11as,11bs)-2-acetyl-1-hydroxy-5,5-dimethyl-10-(methylamino)-5ah,6h,11ah,11bh-naphtho[2,3-a]pyrrolizine-3,11-dione" ], "molecular_formula": "C20H22N2O4", "smiles": "CNc1cccc2c1C(=O)[C@@H]1[C@H]3C(O)=C(C(C)=O)C(=O)N3C(C)(C)[C@@H]1C2", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0149751" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "FWPNUKOTCRYVIK-RLCCDNCMSA-N": { "inchikey": "FWPNUKOTCRYVIK-RLCCDNCMSA-N", "inchikey2D": "FWPNUKOTCRYVIK", "names": [ "(5ar,11as,11bs)-2-ethanimidoyl-1-hydroxy-5,5-dimethyl-10-(methylamino)-5ah,6h,11ah,11bh-naphtho[2,3-a]pyrrolizine-3,11-dione" ], "molecular_formula": "C20H23N3O3", "smiles": "CNc1cccc2c1C(=O)[C@@H]1[C@H]3C(O)=C(C(C)=N)C(=O)N3C(C)(C)[C@@H]1C2", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0149885" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "NABXYEMKOPGTET-XKFYHEJLSA-N": { "inchikey": "NABXYEMKOPGTET-XKFYHEJLSA-N", "inchikey2D": "NABXYEMKOPGTET", "names": [ "3-[(2e,6e,10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-1h-indole" ], "molecular_formula": "C28H39N", "smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1c[nH]c2ccccc12", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0264246" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "XOLHQUYGSUGTQA-UHFFFAOYSA-N": { "inchikey": "XOLHQUYGSUGTQA-UHFFFAOYSA-N", "inchikey2D": "XOLHQUYGSUGTQA", "names": [ "1,16,20-trimethyl-16-(4-methylpent-3-en-1-yl)-3-azapentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosa-2(10),4,6,8-tetraen-17-ol" ], "molecular_formula": "C28H39NO", "smiles": "CC(C)=CCCC1(C)C(O)CCC2(C)C1CCC1Cc3c([nH]c4ccccc34)C12C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0138856" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "LWMYYCFEWUUXAH-LLVKDONJSA-N": { "inchikey": "LWMYYCFEWUUXAH-LLVKDONJSA-N", "inchikey2D": "LWMYYCFEWUUXAH", "names": [ "(5ar)-2-ethanimidoyl-1-hydroxy-5,5-dimethyl-10-(methylamino)-5ah,6h-naphtho[2,3-a]pyrrolizine-3,11-dione" ], "molecular_formula": "C20H21N3O3", "smiles": "CNc1cccc2c1C(=O)C1=C3C(O)=C(C(C)=N)C(=O)N3C(C)(C)[C@@H]1C2", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0094798" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "XDZIYWBMRDSUPM-APBUJDDRSA-N": { "inchikey": "XDZIYWBMRDSUPM-APBUJDDRSA-N", "inchikey2D": "XDZIYWBMRDSUPM", "names": [ "(3r,5s)-5,9,9,17-tetramethyl-4-oxa-8,17-diazapentacyclo[10.6.1.0²,¹⁰.0³,⁸.0¹⁶,¹⁹]nonadeca-1,10,12,14,16(19)-pentaene-7,18-dione" ], "molecular_formula": "C20H20N2O3", "smiles": "C[C@H]1CC(=O)N2[C@H](O1)c1c(cc3cccc4c3c1C(=O)N4C)C2(C)C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0148047" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "XDZIYWBMRDSUPM-UHFFFAOYSA-N": { "inchikey": "XDZIYWBMRDSUPM-UHFFFAOYSA-N", "inchikey2D": "XDZIYWBMRDSUPM", "names": [ "5,9,9,17-tetramethyl-4-oxa-8,17-diazapentacyclo[10.6.1.0²,¹⁰.0³,⁸.0¹⁶,¹⁹]nonadeca-1,10,12,14,16(19)-pentaene-7,18-dione" ], "molecular_formula": "C20H20N2O3", "smiles": "CC1CC(=O)N2C(O1)c1c(cc3cccc4c3c1C(=O)N4C)C2(C)C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0168312" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "GUZVDQAQJRGKEH-UHFFFAOYSA-N": { "inchikey": "GUZVDQAQJRGKEH-UHFFFAOYSA-N", "inchikey2D": "GUZVDQAQJRGKEH", "names": [ "5-acetyl-2,4,5-trihydroxy-8,8,16-trimethyl-19-oxa-7,16-diazahexacyclo[9.6.1.1¹,⁴.0²,⁹.0³,⁷.0¹⁵,¹⁸]nonadeca-12,14-diene-6,17-dione" ], "molecular_formula": "C21H24N2O7", "smiles": "CC(=O)C1(O)C(=O)N2C3C1(O)OC14C(=O)N(C)C5=CC=CC(CC(C2(C)C)C31O)C54", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0148384" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "PISDGLMTVUSQRK-UHFFFAOYSA-N": { "inchikey": "PISDGLMTVUSQRK-UHFFFAOYSA-N", "inchikey2D": "PISDGLMTVUSQRK", "names": [ "methyl 3-[1,1-dimethyl-5-(methylamino)-3,4-dioxo-3ah,9h,9ah-benzo[f]isoindol-2-yl]-3-oxopropanoate" ], "molecular_formula": "C19H22N2O5", "smiles": "CNc1cccc2c1C(=O)C1C(=O)N(C(=O)CC(=O)OC)C(C)(C)C1C2", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0149255" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "WVYIXBYYAHYOIW-UHFFFAOYSA-N": { "inchikey": "WVYIXBYYAHYOIW-UHFFFAOYSA-N", "inchikey2D": "WVYIXBYYAHYOIW", "names": [ "2-[({2-[2-amino-3-(1h-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1h-isoquinolin-3-yl}(hydroxy)methylidene)amino]-5-hydroxy-4-methylpentanoic acid" ], "molecular_formula": "C28H34N4O8", "smiles": "COc1c(O)cc2c(c1O)CN(C(=O)C(N)Cc1c[nH]c3ccccc13)C(C(O)=NC(CC(C)CO)C(=O)O)C2", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0085471" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "GSLMEQPWGDWDKV-XLIONFOSSA-N": { "inchikey": "GSLMEQPWGDWDKV-XLIONFOSSA-N", "inchikey2D": "GSLMEQPWGDWDKV", "names": [ "(3r,5s)-7-hydroxy-5,9,9,17-tetramethyl-4-oxa-8,17-diazapentacyclo[10.6.1.0²,¹⁰.0³,⁵.0¹⁶,¹⁹]nonadeca-1,7,10,12,14,16(19)-hexaen-18-one" ], "molecular_formula": "C20H20N2O3", "smiles": "CN1C(=O)c2c3c(cc4cccc1c24)C(C)(C)N=C(O)C[C@]1(C)O[C@H]31", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0214258" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "SPCHXPAJDYUPBJ-UHFFFAOYSA-N": { "inchikey": "SPCHXPAJDYUPBJ-UHFFFAOYSA-N", "inchikey2D": "SPCHXPAJDYUPBJ", "names": [ "15-hydroxy-1,2,9-trimethyl-7-(2-methylprop-1-en-1-yl)-6-oxa-22-azahexacyclo[11.10.0.0²,¹⁰.0⁵,⁹.0¹⁵,²².0¹⁶,²¹]tricosa-16,18,20-trien-23-one" ], "molecular_formula": "C28H37NO3", "smiles": "CC(C)=CC1CC2(C)C(CCC3(C)C2CCC2CC4(O)c5ccccc5N4C(=O)C23C)O1", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0155663" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "WPOJQZPWCWZDGM-VSUSBFIXSA-N": { "inchikey": "WPOJQZPWCWZDGM-VSUSBFIXSA-N", "inchikey2D": "WPOJQZPWCWZDGM", "names": [ "(1s,2s,5s,7r,9s,10r,13s)-23-hydroxy-1,2,9-trimethyl-7-(2-methylprop-1-en-1-yl)-6-oxa-22-azapentacyclo[11.10.0.0²,¹⁰.0⁵,⁹.0¹⁶,²¹]tricosa-16,18,20,22-tetraen-15-one", "Asporyzin A" ], "molecular_formula": "C28H37NO3", "smiles": "CC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2CC(=O)c4ccccc4N=C(O)[C@@]23C)O1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0090453", "npaid": "NPA000340" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "SAJLLZGTTHMQBE-CFVMTHIKSA-N": { "inchikey": "SAJLLZGTTHMQBE-CFVMTHIKSA-N", "inchikey2D": "SAJLLZGTTHMQBE", "names": [ "(2s,4as,8as)-2,5,5,8a-tetramethyl-1-methylidene-hexahydronaphthalen-2-ol" ], "molecular_formula": "C15H26O", "smiles": "C=C1[C@@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0233663" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "IJQOCPUOONIEFG-UHFFFAOYSA-N": { "inchikey": "IJQOCPUOONIEFG-UHFFFAOYSA-N", "inchikey2D": "IJQOCPUOONIEFG", "names": [ "Speradine E", "methyl 3-oxo-3-{5,5,13-trimethyl-3,14-dioxo-4,13-diazatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-1,6,8,10,12(15)-pentaen-4-yl}propanoate" ], "molecular_formula": "C20H18N2O5", "smiles": "COC(=O)CC(=O)N1C(=O)c2c(cc3cccc4c3c2C(=O)N4C)C1(C)C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0186285", "npaid": "NPA005017" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "WVYIXBYYAHYOIW-RUEPJGNKSA-N": { "inchikey": "WVYIXBYYAHYOIW-RUEPJGNKSA-N", "inchikey2D": "WVYIXBYYAHYOIW", "names": [ "(2s,4r)-2-({[(3s)-2-[(2r)-2-amino-3-(1h-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1h-isoquinolin-3-yl](hydroxy)methylidene}amino)-5-hydroxy-4-methylpentanoic acid" ], "molecular_formula": "C28H34N4O8", "smiles": "COc1c(O)cc2c(c1O)CN(C(=O)[C@H](N)Cc1c[nH]c3ccccc13)[C@H](C(O)=N[C@@H](C[C@@H](C)CO)C(=O)O)C2", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0106007" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "DGRCZFXNXUFHTJ-UHFFFAOYSA-N": { "inchikey": "DGRCZFXNXUFHTJ-UHFFFAOYSA-N", "inchikey2D": "DGRCZFXNXUFHTJ", "names": [ "1-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-3-one" ], "molecular_formula": "C15H22O4", "smiles": "CC1(CO)CCCC2(C)C3=C(CCC12)C(=O)OC3O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0085931" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "XFTWUNOVBCHBJR-NGJCXOISSA-N": { "inchikey": "XFTWUNOVBCHBJR-NGJCXOISSA-N", "inchikey2D": "XFTWUNOVBCHBJR", "names": [ "aspergillomarasmine a" ], "molecular_formula": "C10H17N3O8", "smiles": "N[C@H](CN[C@H](CN[C@@H](CC(=O)O)C(=O)O)C(=O)O)C(=O)O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0211912" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "HOJAIZSMUNKBJQ-SXFKLJQYSA-N": { "inchikey": "HOJAIZSMUNKBJQ-SXFKLJQYSA-N", "inchikey2D": "HOJAIZSMUNKBJQ", "names": [ "(1s,2r,4r,5s,11s,14s,15r,17r,18s)-15-hydroxy-11-(hydroxymethyl)-17-isopropyl-4,14-dimethylpentacyclo[9.7.0.0²,⁴.0⁵,⁹.0¹⁴,¹⁸]octadec-8-ene-8-carboxylic acid" ], "molecular_formula": "C25H38O4", "smiles": "CC(C)[C@H]1C[C@@H](O)[C@@]2(C)CC[C@]3(CO)CC4=C(C(=O)O)CC[C@H]4[C@]4(C)C[C@@H]4[C@H]3[C@H]12", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0196720" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "HEXYWHYANGOMLJ-YGOYTEALSA-N": { "inchikey": "HEXYWHYANGOMLJ-YGOYTEALSA-N", "inchikey2D": "HEXYWHYANGOMLJ", "names": [ "(2r,3s,5'r)-5-chloro-3',6-dihydroxy-3-methoxy-3h-6',7'-dithia-1',4'-diazaspiro[1-benzofuran-2,2'-bicyclo[3.2.1]octan]-3'-en-8'-one" ], "molecular_formula": "C12H9ClN2O5S2", "smiles": "CO[C@H]1c2cc(Cl)c(O)cc2O[C@@]12C(O)=N[C@@H]1SSN2C1=O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0260784" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "QJYILEDZEZVBBD-IPYQKNEASA-N": { "inchikey": "QJYILEDZEZVBBD-IPYQKNEASA-N", "inchikey2D": "QJYILEDZEZVBBD", "names": [ "(1s,2s,5s,7r,9s,10r,13s)-15-hydroxy-2,9-dimethyl-7-(2-methylprop-1-en-1-yl)-6-oxa-22-azahexacyclo[11.10.0.0²,¹⁰.0⁵,⁹.0¹⁵,²².0¹⁶,²¹]tricosa-16,18,20-trien-23-one" ], "molecular_formula": "C27H35NO3", "smiles": "CC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@]3(C)[C@H]4C(=O)N5c6ccccc6C5(O)C[C@@H]4CC[C@@H]23)O1", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0196382" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "FZCSTZYAHCUGEM-CRCLSJGQSA-N": { "inchikey": "FZCSTZYAHCUGEM-CRCLSJGQSA-N", "inchikey2D": "FZCSTZYAHCUGEM", "names": [ "aspergillomarasmine b" ], "molecular_formula": "C9H14N2O8", "smiles": "O=C(O)CN[C@H](CN[C@@H](CC(=O)O)C(=O)O)C(=O)O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0212850" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "JWGIPNWTSPSMIA-NJHLSQGMSA-N": { "inchikey": "JWGIPNWTSPSMIA-NJHLSQGMSA-N", "inchikey2D": "JWGIPNWTSPSMIA", "names": [ "(2z,4s)-4-hydroxy-3-(7-hydroxy-4-oxochromen-3-yl)hex-2-enedioic acid" ], "molecular_formula": "C15H12O8", "smiles": "O=C(O)/C=C(/c1coc2cc(O)ccc2c1=O)[C@@H](O)CC(=O)O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0208160" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "OSJNWDRTTGIQSH-UHFFFAOYSA-N": { "inchikey": "OSJNWDRTTGIQSH-UHFFFAOYSA-N", "inchikey2D": "OSJNWDRTTGIQSH", "names": [ "9a-[(acetyloxy)methyl]-6-(hydroxymethyl)-6-methyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-hydroxybenzoate" ], "molecular_formula": "C24H28O8", "smiles": "CC(=O)OCC12CCCC(C)(CO)C1C(OC(=O)c1ccc(O)cc1)CC1=C2COC1=O", "species": [ "[query-hint] Aspergillus 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"COc1c(O)cc2c(c1O)CN1C(=O)C(Cc3c[nH]c4ccccc34)N=C(O)C1C2", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0222021" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "WTFIFQXTQCYJKU-UHFFFAOYSA-N": { "inchikey": "WTFIFQXTQCYJKU-UHFFFAOYSA-N", "inchikey2D": "WTFIFQXTQCYJKU", "names": [ "2-(penta-1,3-dien-1-yl)-2,3-dihydro-1-benzofuran-5,7-diol" ], "molecular_formula": "C13H14O3", "smiles": "CC=CC=CC1Cc2cc(O)cc(O)c2O1", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0073045" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "SPCHXPAJDYUPBJ-QFRRQRMOSA-N": { "inchikey": "SPCHXPAJDYUPBJ-QFRRQRMOSA-N", "inchikey2D": "SPCHXPAJDYUPBJ", "names": [ "(1s,2s,5s,7r,9s,10r,13s)-15-hydroxy-1,2,9-trimethyl-7-(2-methylprop-1-en-1-yl)-6-oxa-22-azahexacyclo[11.10.0.0²,¹⁰.0⁵,⁹.0¹⁵,²².0¹⁶,²¹]tricosa-16,18,20-trien-23-one", "Asporyzin B" ], "molecular_formula": "C28H37NO3", "smiles": "CC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2CC4(O)c5ccccc5N4C(=O)[C@@]23C)O1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0220883", "npaid": "NPA014500" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "SREDNEAAWGFTAO-JGFGOQIWSA-N": { "inchikey": "SREDNEAAWGFTAO-JGFGOQIWSA-N", "inchikey2D": "SREDNEAAWGFTAO", "names": [ "(2r,3s,9r)-5-ethanimidoyl-4,18-dihydroxy-8,8,16-trimethyl-7,16-diazapentacyclo[9.7.1.0²,⁹.0³,⁷.0¹⁵,¹⁹]nonadeca-1(18),4,11(19),12,14-pentaene-6,17-dione" ], "molecular_formula": "C22H23N3O4", "smiles": "CC(=N)C1=C(O)[C@@H]2[C@H]3c4c(O)c(=O)n(C)c5cccc(c45)C[C@H]3C(C)(C)N2C1=O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0011439" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "HEXYWHYANGOMLJ-UHFFFAOYSA-N": { "inchikey": "HEXYWHYANGOMLJ-UHFFFAOYSA-N", "inchikey2D": "HEXYWHYANGOMLJ", "names": [ "5-chloro-3',6-dihydroxy-3-methoxy-3h-6',7'-dithia-1',4'-diazaspiro[1-benzofuran-2,2'-bicyclo[3.2.1]octan]-3'-en-8'-one" ], "molecular_formula": "C12H9ClN2O5S2", "smiles": "COC1c2cc(Cl)c(O)cc2OC12C(O)=NC1SSN2C1=O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0233660" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "OEKMQZYJKJARTR-UHFFFAOYSA-N": { "inchikey": "OEKMQZYJKJARTR-UHFFFAOYSA-N", "inchikey2D": "OEKMQZYJKJARTR", "names": [ "methyl 3-{1-hydroxy-5,5,13-trimethyl-3,14-dioxo-4,13-diazatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-8,10,12(15)-trien-4-yl}-3-oxopropanoate" ], "molecular_formula": "C20H22N2O6", "smiles": "COC(=O)CC(=O)N1C(=O)C2C(Cc3cccc4c3C2(O)C(=O)N4C)C1(C)C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0239946" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "BOJLRPXCHKKNCK-UHFFFAOYSA-N": { "inchikey": "BOJLRPXCHKKNCK-UHFFFAOYSA-N", "inchikey2D": "BOJLRPXCHKKNCK", "names": [ "5-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-3-one" ], "molecular_formula": "C15H22O4", "smiles": "CC1(CO)CCCC2(C)C3=C(CC(O)C12)C(=O)OC3", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0172952" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "JIFOMGQJIOWIGX-HFRPNRNYSA-N": { "inchikey": "JIFOMGQJIOWIGX-HFRPNRNYSA-N", "inchikey2D": "JIFOMGQJIOWIGX", "names": [ "(1r,2s,3s,9r)-5-ethanimidoyl-1,4-dihydroxy-8,8,16-trimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-4,11,13,15(18)-tetraene-6,17-dione" ], "molecular_formula": "C21H23N3O4", "smiles": "CC(=N)C1=C(O)[C@@H]2[C@@H]3[C@@H](Cc4cccc5c4[C@@]3(O)C(=O)N5C)C(C)(C)N2C1=O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0174599" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "NYSVXBBJDRMRRZ-QHKHEEJVSA-N": { "inchikey": "NYSVXBBJDRMRRZ-QHKHEEJVSA-N", "inchikey2D": "NYSVXBBJDRMRRZ", "names": [ "(1s,2s,3s,9r)-5-acetyl-1,4-dihydroxy-8,8,16-trimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-4,11,13,15(18)-tetraene-6,17-dione" ], "molecular_formula": "C21H22N2O5", "smiles": "CC(=O)C1=C(O)[C@@H]2[C@@H]3[C@@H](Cc4cccc5c4[C@]3(O)C(=O)N5C)C(C)(C)N2C1=O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0169256" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "FROHWGGMFSFTTA-JJDIRLSQSA-N": { "inchikey": "FROHWGGMFSFTTA-JJDIRLSQSA-N", "inchikey2D": "FROHWGGMFSFTTA", "names": [ "(1s,2s,5s,7s,8s,11r,14s)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-ol" ], "molecular_formula": "C27H35NO3", "smiles": "CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=C[C@@H]1O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0171588" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "WPOJQZPWCWZDGM-UHFFFAOYSA-N": { "inchikey": "WPOJQZPWCWZDGM-UHFFFAOYSA-N", "inchikey2D": "WPOJQZPWCWZDGM", "names": [ "23-hydroxy-1,2,9-trimethyl-7-(2-methylprop-1-en-1-yl)-6-oxa-22-azapentacyclo[11.10.0.0²,¹⁰.0⁵,⁹.0¹⁶,²¹]tricosa-16,18,20,22-tetraen-15-one" ], "molecular_formula": "C28H37NO3", "smiles": "CC(C)=CC1CC2(C)C(CCC3(C)C2CCC2CC(=O)c4ccccc4N=C(O)C23C)O1", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0043671" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "SZINUGQCTHLQAZ-DQYPLSBCSA-N": { "inchikey": "SZINUGQCTHLQAZ-DQYPLSBCSA-N", "inchikey2D": "SZINUGQCTHLQAZ", "names": [ "cyclopiazonic acid" ], "molecular_formula": "C20H20N2O3", "smiles": "CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0174796" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "ALPIZIJBAXVJRC-UHFFFAOYSA-N": { "inchikey": "ALPIZIJBAXVJRC-UHFFFAOYSA-N", "inchikey2D": "ALPIZIJBAXVJRC", "names": [ "5-(5-acetyl-4-hydroxy-6-oxopyran-2-yl)pentanoic acid", "Csypyrone B3" ], "molecular_formula": "C12H14O6", "smiles": "CC(=O)c1c(O)cc(CCCCC(=O)O)oc1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0236088", "npaid": "NPA003121" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "NHXKXNQOTMRWNZ-UHFFFAOYSA-N": { "inchikey": "NHXKXNQOTMRWNZ-UHFFFAOYSA-N", "inchikey2D": "NHXKXNQOTMRWNZ", "names": [ "1-{5,5-dimethyl-3-oxo-4,13-diazatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-1(14),8(15),9,11-tetraen-4-yl}butane-1,3-dione" ], "molecular_formula": "C19H20N2O3", "smiles": "CC(=O)CC(=O)N1C(=O)C2c3c[nH]c4cccc(c34)CC2C1(C)C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0188796" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "WTFIFQXTQCYJKU-JWVODRKRSA-N": { "inchikey": "WTFIFQXTQCYJKU-JWVODRKRSA-N", "inchikey2D": "WTFIFQXTQCYJKU", "names": [ "(2r)-2-[(1e,3e)-penta-1,3-dien-1-yl]-2,3-dihydro-1-benzofuran-5,7-diol", "Asperfuran" ], "molecular_formula": "C13H14O3", "smiles": "C/C=C/C=C/[C@H]1Cc2cc(O)cc(O)c2O1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0036004", "npaid": "NPA005827" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "FRHIEXGDYQMFJP-UHFFFAOYSA-N": { "inchikey": "FRHIEXGDYQMFJP-UHFFFAOYSA-N", "inchikey2D": "FRHIEXGDYQMFJP", "names": [ "3,3-dimethyl-8-(methylamino)-2-(3-oxobutanoyl)-3ah,4h,9ah-benzo[f]isoindole-1,9-dione" ], "molecular_formula": "C19H22N2O4", "smiles": "CNc1cccc2c1C(=O)C1C(=O)N(C(=O)CC(C)=O)C(C)(C)C1C2", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0035639" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "NJNVLWKPNCWDDC-UHFFFAOYSA-N": { "inchikey": "NJNVLWKPNCWDDC-UHFFFAOYSA-N", "inchikey2D": "NJNVLWKPNCWDDC", "names": [ "1,3-dihydroxy-5,5,13-trimethyl-4,13-diazatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-3,8(15),9,11-tetraen-14-one" ], "molecular_formula": "C16H18N2O3", "smiles": "CN1C(=O)C2(O)c3c(cccc31)CC1C2C(O)=NC1(C)C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0155874" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "FYPSLERIHMOYRN-UHFFFAOYSA-N": { "inchikey": "FYPSLERIHMOYRN-UHFFFAOYSA-N", "inchikey2D": "FYPSLERIHMOYRN", "names": [ "1-(1,3,6,8-tetrahydroxynaphthalen-2-yl)ethanone" ], "molecular_formula": "C12H10O5", "smiles": "CC(=O)c1c(O)cc2cc(O)cc(O)c2c1O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0130844" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "KJTLQQUUPVSXIM-ZCFIWIBFSA-N": { "inchikey": "KJTLQQUUPVSXIM-ZCFIWIBFSA-N", "inchikey2D": "KJTLQQUUPVSXIM", "names": [ "mevalonic acid" ], "molecular_formula": "C6H12O4", "smiles": "C[C@@](O)(CCO)CC(=O)O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0008675" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "SIXWWNJBOOYCOG-UHFFFAOYSA-N": { "inchikey": "SIXWWNJBOOYCOG-UHFFFAOYSA-N", "inchikey2D": "SIXWWNJBOOYCOG", "names": [ "2,4-dihydroxy-6-(2-oxopropyl)-benzoic acid", "2,4-dihydroxy-6-(2-oxopropyl)benzoic acid" ], "molecular_formula": "C10H10O5", "smiles": "CC(=O)Cc1cc(O)cc(O)c1C(=O)O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0043176", "npaid": "NPA010625" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "FNIHUSOGDPMUFQ-UHFFFAOYSA-N": { "inchikey": "FNIHUSOGDPMUFQ-UHFFFAOYSA-N", "inchikey2D": "FNIHUSOGDPMUFQ", "names": [ "2-acetyl-1-hydroxy-5,5-dimethyl-10-(methylamino)-5ah,6h,11ah,11bh-naphtho[2,3-a]pyrrolizine-3,11-dione" ], "molecular_formula": "C20H22N2O4", "smiles": "CNc1cccc2c1C(=O)C1C3C(O)=C(C(C)=O)C(=O)N3C(C)(C)C1C2", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0067956" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "OEKMQZYJKJARTR-YKPVOENPSA-N": { "inchikey": "OEKMQZYJKJARTR-YKPVOENPSA-N", "inchikey2D": "OEKMQZYJKJARTR", "names": [ "methyl 3-[(2r,6r)-1-hydroxy-5,5,13-trimethyl-3,14-dioxo-4,13-diazatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-8,10,12(15)-trien-4-yl]-3-oxopropanoate" ], "molecular_formula": "C20H22N2O6", "smiles": "COC(=O)CC(=O)N1C(=O)[C@@H]2[C@@H](Cc3cccc4c3C2(O)C(=O)N4C)C1(C)C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0270466" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "ODKDMMTXTVCCLJ-HJNYFJLDSA-N": { "inchikey": "ODKDMMTXTVCCLJ-HJNYFJLDSA-N", "inchikey2D": "ODKDMMTXTVCCLJ", "names": [ "(2s)-2-({[(3s)-2-[(2r)-2-amino-3-(1h-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1h-isoquinolin-3-yl](hydroxy)methylidene}amino)-5-hydroxy-4-(hydroxymethyl)pentanoic acid" ], "molecular_formula": "C28H34N4O9", "smiles": "COc1c(O)cc2c(c1O)CN(C(=O)[C@H](N)Cc1c[nH]c3ccccc13)[C@H](C(O)=N[C@@H](CC(CO)CO)C(=O)O)C2", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0269575" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "CDRYROJFUGYDQH-UHFFFAOYSA-N": { "inchikey": "CDRYROJFUGYDQH-UHFFFAOYSA-N", "inchikey2D": "CDRYROJFUGYDQH", "names": [ "6,7,8-trihydroxy-3-(4-hydroxyphenyl)chromen-4-one" ], "molecular_formula": "C15H10O6", "smiles": "O=c1c(-c2ccc(O)cc2)coc2c(O)c(O)c(O)cc12", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0025918" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "SREDNEAAWGFTAO-UHFFFAOYSA-N": { "inchikey": "SREDNEAAWGFTAO-UHFFFAOYSA-N", "inchikey2D": "SREDNEAAWGFTAO", "names": [ "5-ethanimidoyl-4,18-dihydroxy-8,8,16-trimethyl-7,16-diazapentacyclo[9.7.1.0²,⁹.0³,⁷.0¹⁵,¹⁹]nonadeca-1(18),4,11(19),12,14-pentaene-6,17-dione" ], "molecular_formula": "C22H23N3O4", "smiles": "CC(=N)C1=C(O)C2C3c4c(O)c(=O)n(C)c5cccc(c45)CC3C(C)(C)N2C1=O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0034203" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "GSLMEQPWGDWDKV-UHFFFAOYSA-N": { "inchikey": "GSLMEQPWGDWDKV-UHFFFAOYSA-N", "inchikey2D": "GSLMEQPWGDWDKV", "names": [ "7-hydroxy-5,9,9,17-tetramethyl-4-oxa-8,17-diazapentacyclo[10.6.1.0²,¹⁰.0³,⁵.0¹⁶,¹⁹]nonadeca-1,7,10,12,14,16(19)-hexaen-18-one" ], "molecular_formula": "C20H20N2O3", "smiles": "CN1C(=O)c2c3c(cc4cccc1c24)C(C)(C)N=C(O)CC1(C)OC31", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0000049" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "RFTCCHRJHJWRKA-UHFFFAOYSA-N": { "inchikey": "RFTCCHRJHJWRKA-UHFFFAOYSA-N", "inchikey2D": "RFTCCHRJHJWRKA", "names": [ "6-[(acetyloxy)methyl]-9a-(hydroxymethyl)-6-methyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-hydroxybenzoate" ], "molecular_formula": "C24H28O8", "smiles": "CC(=O)OCC1(C)CCCC2(CO)C3=C(CC(OC(=O)c4ccc(O)cc4)C12)C(=O)OC3", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0005989" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "NXZRXKFLZZAYRA-UHFFFAOYSA-N": { "inchikey": "NXZRXKFLZZAYRA-UHFFFAOYSA-N", "inchikey2D": "NXZRXKFLZZAYRA", "names": [ "14-acetyl-15-hydroxy-13,13-dimethyl-4,16-diazapentacyclo[12.2.1.1⁹,¹².0²,¹¹.0⁵,¹⁰]octadeca-2,5,7,9,15-pentaen-17-one" ], "molecular_formula": "C20H20N2O3", "smiles": "CC(=O)C12C(=O)C(N=C1O)C1=CNc3cccc4c3C1C(C4)C2(C)C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0009400" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "FRHIEXGDYQMFJP-MLGOLLRUSA-N": { "inchikey": "FRHIEXGDYQMFJP-MLGOLLRUSA-N", "inchikey2D": "FRHIEXGDYQMFJP", "names": [ "(3ar,9ar)-3,3-dimethyl-8-(methylamino)-2-(3-oxobutanoyl)-3ah,4h,9ah-benzo[f]isoindole-1,9-dione" ], "molecular_formula": "C19H22N2O4", "smiles": "CNc1cccc2c1C(=O)[C@@H]1C(=O)N(C(=O)CC(C)=O)C(C)(C)[C@@H]1C2", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0111942" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "SAJLLZGTTHMQBE-UHFFFAOYSA-N": { "inchikey": "SAJLLZGTTHMQBE-UHFFFAOYSA-N", "inchikey2D": "SAJLLZGTTHMQBE", "names": [ "2,5,5,8a-tetramethyl-1-methylidene-hexahydronaphthalen-2-ol" ], "molecular_formula": "C15H26O", "smiles": "C=C1C(C)(O)CCC2C(C)(C)CCCC12C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0009485" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "LJUJZTYMRBJWDZ-ZDNNFFFZSA-N": { "inchikey": "LJUJZTYMRBJWDZ-ZDNNFFFZSA-N", "inchikey2D": "LJUJZTYMRBJWDZ", "names": [ "3-[(2e,4e,6e)-6,8-dimethyldeca-2,4,6-trienoyl]-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2-one", "Bassianin" ], "molecular_formula": "C23H25NO5", "smiles": "CCC(C)/C=C(C)/C=C/C=C/C(=O)c1c(O)c(-c2ccc(O)cc2)cn(O)c1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0228785", "npaid": "NPA006913" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "KKGFMAANSDFYDF-UHFFFAOYSA-N": { "inchikey": "KKGFMAANSDFYDF-UHFFFAOYSA-N", "inchikey2D": "KKGFMAANSDFYDF", "names": [ "1-hydroxy-5,5,13-trimethyl-4-(3-oxobutanoyl)-4,13-diazatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-8,10,12(15)-triene-3,14-dione" ], "molecular_formula": "C20H22N2O5", "smiles": "CC(=O)CC(=O)N1C(=O)C2C(Cc3cccc4c3C2(O)C(=O)N4C)C1(C)C", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0110768" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "JWGIPNWTSPSMIA-UHFFFAOYSA-N": { "inchikey": "JWGIPNWTSPSMIA-UHFFFAOYSA-N", "inchikey2D": "JWGIPNWTSPSMIA", "names": [ "4-hydroxy-3-(7-hydroxy-4-oxochromen-3-yl)hex-2-enedioic acid" ], "molecular_formula": "C15H12O8", "smiles": "O=C(O)C=C(c1coc2cc(O)ccc2c1=O)C(O)CC(=O)O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0107781" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "WVYIXBYYAHYOIW-KQNCPTOESA-N": { "inchikey": "WVYIXBYYAHYOIW-KQNCPTOESA-N", "inchikey2D": "WVYIXBYYAHYOIW", "names": [ "(2s)-2-({[(3s)-2-[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1h-isoquinolin-3-yl](hydroxy)methylidene}amino)-5-hydroxy-4-methylpentanoic acid", "TMC-2B" ], "molecular_formula": "C28H34N4O8", "smiles": "COc1c(O)cc2c(c1O)CN(C(=O)[C@@H](N)Cc1c[nH]c3ccccc13)[C@H](C(O)=N[C@@H](CC(C)CO)C(=O)O)C2", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0040716", "npaid": "NPA002350" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "SAJLLZGTTHMQBE-NWANDNLSSA-N": { "inchikey": "SAJLLZGTTHMQBE-NWANDNLSSA-N", "inchikey2D": "SAJLLZGTTHMQBE", "names": [ "(2r,4as,8as)-2,5,5,8a-tetramethyl-1-methylidene-hexahydronaphthalen-2-ol" ], "molecular_formula": "C15H26O", "smiles": "C=C1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0245108" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "QOMBZTMIYJDJFP-UHFFFAOYSA-N": { "inchikey": "QOMBZTMIYJDJFP-UHFFFAOYSA-N", "inchikey2D": "QOMBZTMIYJDJFP", "names": [ "5,5,13-trimethyl-4-(3-oxobutanoyl)-4,13-diazatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-1,6,8,10,12(15)-pentaene-3,14-dione", "Speradine H" ], "molecular_formula": "C20H18N2O4", "smiles": "CC(=O)CC(=O)N1C(=O)c2c(cc3cccc4c3c2C(=O)N4C)C1(C)C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0245539", "npaid": "NPA003791" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "CNZIQHGDUXRUJS-HVWJAXCVSA-N": { "inchikey": "CNZIQHGDUXRUJS-HVWJAXCVSA-N", "inchikey2D": "CNZIQHGDUXRUJS", "names": [ "(2r,3s,5e,9s)-5-(1-hydroxyethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-1(17),11(18),12,14-tetraene-4,6-dione" ], "molecular_formula": "C20H20N2O3", "smiles": "C/C(O)=C1/C(=O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N2C1=O", "species": [ "[query-hint] Aspergillus oryzae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0114983" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "FWPNUKOTCRYVIK-UHFFFAOYSA-N": { "inchikey": "FWPNUKOTCRYVIK-UHFFFAOYSA-N", "inchikey2D": "FWPNUKOTCRYVIK", "names": [ 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"INCLUDE:Aspergillus oryzae==Aspergillus oryzae" ] }, "DDJVLBCETGUEBO-AZUAARDMSA-N": { "inchikey": "DDJVLBCETGUEBO-AZUAARDMSA-N", "inchikey2D": "DDJVLBCETGUEBO", "names": [ "glyceollin ii" ], "molecular_formula": "C20H18O5", "smiles": "CC1(C)C=Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31", "species": [ "[query-hint] Aspergillus sojae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0023546" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus sojae==Aspergillus sojae" ] }, "MIYTVBARXCVVHZ-RYGJVYDSSA-N": { "inchikey": "MIYTVBARXCVVHZ-RYGJVYDSSA-N", "inchikey2D": "MIYTVBARXCVVHZ", "names": [ "glyceollin iii" ], "molecular_formula": "C20H18O5", "smiles": "C=C(C)[C@@H]1Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31", "species": [ "[query-hint] Aspergillus sojae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0166610" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus sojae==Aspergillus sojae" ] }, "DDJVLBCETGUEBO-UHFFFAOYSA-N": { "inchikey": "DDJVLBCETGUEBO-UHFFFAOYSA-N", "inchikey2D": "DDJVLBCETGUEBO", "names": [ "17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(13),4,6,8,14,18,20-heptaene-6,10-diol" ], "molecular_formula": "C20H18O5", "smiles": "CC1(C)C=Cc2cc3c(cc2O1)OCC1(O)c2ccc(O)cc2OC31", "species": [ "[query-hint] Aspergillus sojae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0139310" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus sojae==Aspergillus sojae" ] }, "YIFYYPKWOQSCRI-UHFFFAOYSA-N": { "inchikey": "YIFYYPKWOQSCRI-UHFFFAOYSA-N", "inchikey2D": "YIFYYPKWOQSCRI", "names": [ "17,17-dimethyl-3,12,18-trioxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosa-1(13),4,6,8,14(19),15,20-heptaene-6,10-diol" ], "molecular_formula": "C20H18O5", "smiles": "CC1(C)C=Cc2c(ccc3c2OCC2(O)c4ccc(O)cc4OC32)O1", "species": [ "[query-hint] Aspergillus sojae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0171441" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus sojae==Aspergillus sojae" ] }, "YIFYYPKWOQSCRI-AZUAARDMSA-N": { "inchikey": "YIFYYPKWOQSCRI-AZUAARDMSA-N", "inchikey2D": "YIFYYPKWOQSCRI", "names": [ "(2s,10s)-17,17-dimethyl-3,12,18-trioxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosa-1(13),4,6,8,14(19),15,20-heptaene-6,10-diol" ], "molecular_formula": "C20H18O5", "smiles": "CC1(C)C=Cc2c(ccc3c2OC[C@@]2(O)c4ccc(O)cc4O[C@@H]32)O1", "species": [ "[query-hint] Aspergillus sojae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0125176" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus sojae==Aspergillus sojae" ] }, "MIYTVBARXCVVHZ-UHFFFAOYSA-N": { "inchikey": "MIYTVBARXCVVHZ-UHFFFAOYSA-N", "inchikey2D": "MIYTVBARXCVVHZ", "names": [ "6-(prop-1-en-2-yl)-7,11,20-trioxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-2(10),3,8,14,16,18-hexaene-13,17-diol" ], "molecular_formula": "C20H18O5", "smiles": "C=C(C)C1Cc2cc3c(cc2O1)OCC1(O)c2ccc(O)cc2OC31", "species": [ "[query-hint] Aspergillus sojae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0039280" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Aspergillus sojae==Aspergillus sojae" ] }, "TXNJQKDZOVFCAQ-UHFFFAOYSA-N": { "inchikey": "TXNJQKDZOVFCAQ-UHFFFAOYSA-N", "inchikey2D": "TXNJQKDZOVFCAQ", "names": [ "3-acetyl-13-hydroxy-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-4,6,8,13,15,17,19-heptaen-21-one" ], "molecular_formula": "C25H25N3O3", "smiles": "C=CC(C)(C)C12CC3C(O)=Nc4ccccc4C(=O)N3C1N(C(C)=O)c1ccccc12", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0008548" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "FFWOKTFYGVYKIR-UHFFFAOYSA-N": { "inchikey": "FFWOKTFYGVYKIR-UHFFFAOYSA-N", "inchikey2D": "FFWOKTFYGVYKIR", "names": [ "physcion" ], "molecular_formula": "C16H12O5", "smiles": "COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O", "species": [ "[query-hint] Aspergillus terreus", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0052688" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus", "INCLUDE:Polyporus==Polyporus" ] }, "RHMXXJGYXNZAPX-UHFFFAOYSA-N": { "inchikey": "RHMXXJGYXNZAPX-UHFFFAOYSA-N", "inchikey2D": "RHMXXJGYXNZAPX", "names": [ "Emodin", "emodin" ], "molecular_formula": "C15H10O5", "smiles": "Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0163480", "npaid": "NPA020090" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "UUNPIWCQMVNINR-UHFFFAOYSA-N": { "inchikey": "UUNPIWCQMVNINR-UHFFFAOYSA-N", "inchikey2D": "UUNPIWCQMVNINR", "names": [ "Questin", "questin" ], "molecular_formula": "C16H12O5", "smiles": "COc1cc(O)cc2c1C(=O)c1c(O)cc(C)cc1C2=O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0176534", "npaid": "NPA004626" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "GREY:Aspergillus terreus" ] }, "XTLQWSBGQKPGCF-YWDSKPHESA-N": { "inchikey": "XTLQWSBGQKPGCF-YWDSKPHESA-N", "inchikey2D": "XTLQWSBGQKPGCF", "names": [ "(1s,12r,15r,23r)-16-acetyl-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetraazahexacyclo[12.10.0.0²,¹¹.0⁴,⁹.0¹⁵,²³.0¹⁷,²²]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione", "5-N-acetylardeemin" ], "molecular_formula": "C28H28N4O3", "smiles": "C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0046833", "npaid": "NPA007954" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "MHOOPNKRBMHHEC-NSCUHMNNSA-N": { "inchikey": "MHOOPNKRBMHHEC-NSCUHMNNSA-N", "inchikey2D": "MHOOPNKRBMHHEC", "names": [ "terrein" ], "molecular_formula": "C8H10O3", "smiles": "C/C=C/C1=CC(=O)C(O)C1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0161113" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "XTLQWSBGQKPGCF-UHFFFAOYSA-N": { "inchikey": "XTLQWSBGQKPGCF-UHFFFAOYSA-N", "inchikey2D": "XTLQWSBGQKPGCF", "names": [ "16-acetyl-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetraazahexacyclo[12.10.0.0²,¹¹.0⁴,⁹.0¹⁵,²³.0¹⁷,²²]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione" ], "molecular_formula": "C28H28N4O3", "smiles": "C=CC(C)(C)C12CC3c4nc5ccccc5c(=O)n4C(C)C(=O)N3C1N(C(C)=O)c1ccccc12", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0269033" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "UTVHCNQHDCRVMF-UHFFFAOYSA-N": { "inchikey": "UTVHCNQHDCRVMF-UHFFFAOYSA-N", "inchikey2D": "UTVHCNQHDCRVMF", "names": [ "16-acetyl-1-hydroxy-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetraazahexacyclo[12.10.0.0²,¹¹.0⁴,⁹.0¹⁵,²³.0¹⁷,²²]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione" ], "molecular_formula": "C28H28N4O4", "smiles": "C=CC(C)(C)C12CC3(O)c4nc5ccccc5c(=O)n4C(C)C(=O)N3C1N(C(C)=O)c1ccccc12", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0114308" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "CBGDIJWINPWWJW-IYSWYEEDSA-N": { "inchikey": "CBGDIJWINPWWJW-IYSWYEEDSA-N", "inchikey2D": "CBGDIJWINPWWJW", "names": [ "(3r,4s)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydro-2-benzopyran-7-carboxylic acid" ], "molecular_formula": "C13H14O5", "smiles": "CC1=C2C(=CO[C@H](C)[C@H]2C)C(=O)C(C(=O)O)=C1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0143352" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "JLWQFKMKUKQXMW-IYSWYEEDSA-N": { "inchikey": "JLWQFKMKUKQXMW-IYSWYEEDSA-N", "inchikey2D": "JLWQFKMKUKQXMW", "names": [ "citrinin, antimycin" ], "molecular_formula": "C13H14O5", "smiles": "CC1=C2C(=CO[C@H](C)[C@H]2C)C(=O)C(=C(O)O)C1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0120445" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "MHOOPNKRBMHHEC-UHFFFAOYSA-N": { "inchikey": "MHOOPNKRBMHHEC-UHFFFAOYSA-N", "inchikey2D": "MHOOPNKRBMHHEC", "names": [ "terrein" ], "molecular_formula": "C8H10O3", "smiles": "CC=CC1=CC(=O)C(O)C1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0179846" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "LAJXCUNOQSHRJO-ZYGJITOWSA-N": { "inchikey": "LAJXCUNOQSHRJO-ZYGJITOWSA-N", "inchikey2D": "LAJXCUNOQSHRJO", "names": [ "(1s,5e,7r,9s,11e,13s,14s,16r,17s,18s,19s)-19-benzyl-7,21-dihydroxy-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.0¹,¹⁸.0¹⁴,¹⁶]henicosa-5,11,20-triene-3,8-dione" ], "molecular_formula": "C28H33NO7", "smiles": "C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)N=C(O)[C@@]23OC(=O)O/C=C/[C@@](C)(O)C1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0214592" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "ZRWPUFFVAOMMNM-ZETCQYMHSA-N": { 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"LTS0165471" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "SLYDIPAXCVVRNY-UHFFFAOYSA-N": { "inchikey": "SLYDIPAXCVVRNY-UHFFFAOYSA-N", "inchikey2D": "SLYDIPAXCVVRNY", "names": [ "8-benzoyl-2-(1,2-dihydroxyhex-3-en-1-yl)-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one" ], "molecular_formula": "C22H25NO8", "smiles": "CCC=CC(O)C(O)C1=C(C)C(=O)C2(O1)C(O)=NC(OC)(C(=O)c1ccccc1)C2O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0062351" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "YJRLSCDUYLRBIZ-UHFFFAOYSA-N": { "inchikey": "YJRLSCDUYLRBIZ-UHFFFAOYSA-N", "inchikey2D": "YJRLSCDUYLRBIZ", "names": [ "sulochrin" ], "molecular_formula": "C17H16O7", "smiles": "COC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0264830" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "HCJMNOSIAGSZBM-UHFFFAOYSA-N": { "inchikey": "HCJMNOSIAGSZBM-UHFFFAOYSA-N", "inchikey2D": "HCJMNOSIAGSZBM", "names": [ "methylsalicylic acid" ], "molecular_formula": "C8H8O3", "smiles": "Cc1cccc(O)c1C(=O)O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0079350" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "GKDPVOBYIGAJSD-UHFFFAOYSA-N": { "inchikey": "GKDPVOBYIGAJSD-UHFFFAOYSA-N", "inchikey2D": "GKDPVOBYIGAJSD", "names": [ "Gillusdin", "gillusdin" ], "molecular_formula": "C17H12Cl2O8", "smiles": "COC(=O)C1=CC(=O)C(O)=C(OC)C12Oc1c(Cl)c(O)c(Cl)c(C)c1C2=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0132678", "npaid": "NPA019072" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "LFRFNLMDZHTVHB-YUMQZZPRSA-N": { "inchikey": "LFRFNLMDZHTVHB-YUMQZZPRSA-N", "inchikey2D": "LFRFNLMDZHTVHB", "names": [ "(4s,5r)-4,5-dihydroxy-3-propylcyclopent-2-en-1-one" ], "molecular_formula": "C8H12O3", "smiles": "CCCC1=CC(=O)[C@H](O)[C@H]1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0136592" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "XNIXILZHFOBLTQ-UHFFFAOYSA-N": { "inchikey": "XNIXILZHFOBLTQ-UHFFFAOYSA-N", "inchikey2D": "XNIXILZHFOBLTQ", "names": [ "18-benzyl-20-hydroxy-6,8,15,16-tetramethyl-2,14-dioxa-19-azatetracyclo[10.8.0.0¹,¹⁷.0¹³,¹⁵]icosa-5,10,19-triene-3,7-dione" ], "molecular_formula": "C28H33NO5", "smiles": "CC1=CCC(=O)OC23C(O)=NC(Cc4ccccc4)C2C(C)C2(C)OC2C3C=CCC(C)C1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0212515" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "DMPXDLRQZYXVHL-UHFFFAOYSA-N": { "inchikey": "DMPXDLRQZYXVHL-UHFFFAOYSA-N", "inchikey2D": "DMPXDLRQZYXVHL", "names": [ "2,5-dihydroxy-3,6-bis[6-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]cyclohexa-2,5-diene-1,4-dione" ], "molecular_formula": "C32H30N2O4", "smiles": "CC(C)=CCc1ccc2c(C3=C(O)C(=O)C(c4c[nH]c5cc(CC=C(C)C)ccc45)=C(O)C3=O)c[nH]c2c1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0178764" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "GSKYCPXSDLXGEW-SECBINFHSA-N": { "inchikey": "GSKYCPXSDLXGEW-SECBINFHSA-N", "inchikey2D": "GSKYCPXSDLXGEW", "names": [ "(1r)-4-methyl-1,3-dihydro-2-benzofuran-1,5,6,7-tetrol" ], "molecular_formula": "C9H10O5", "smiles": "Cc1c(O)c(O)c(O)c2c1CO[C@H]2O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0170417" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "NSXYYYUKWBLFQH-MHECFPHRSA-N": { "inchikey": "NSXYYYUKWBLFQH-MHECFPHRSA-N", "inchikey2D": "NSXYYYUKWBLFQH", "names": [ "methyl (2r)-4-hydroxy-2-{[(3s)-3-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]methyl}-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate" ], "molecular_formula": "C24H24O8", "smiles": "COC(=O)[C@]1(Cc2ccc3c(c2)C[C@H](O)C(C)(C)O3)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0105996" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "HPOJWMIHHBGCAZ-UHFFFAOYSA-N": { "inchikey": "HPOJWMIHHBGCAZ-UHFFFAOYSA-N", "inchikey2D": "HPOJWMIHHBGCAZ", "names": [ "methyl 2-(3-chloro-2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate" ], "molecular_formula": "C17H15ClO7", "smiles": "COC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(C)c(Cl)c1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0039286" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "JLSVDPQAIKFBTO-OMCRQDLASA-N": { "inchikey": "JLSVDPQAIKFBTO-OMCRQDLASA-N", "inchikey2D": "JLSVDPQAIKFBTO", "names": [ "citreoviridin" ], "molecular_formula": "C23H30O6", "smiles": "COc1cc(=O)oc(/C=C/C=C/C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@](C)(O)[C@H]2O)c1C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0150527" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "AXIPUIQLQUNOCF-UHFFFAOYSA-N": { "inchikey": "AXIPUIQLQUNOCF-UHFFFAOYSA-N", "inchikey2D": "AXIPUIQLQUNOCF", "names": [ "dihydrogeodin" ], "molecular_formula": "C17H14Cl2O7", "smiles": "COC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)c(Cl)c(C)c(Cl)c1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0268250" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "XNIXILZHFOBLTQ-RDTBASBDSA-N": { "inchikey": "XNIXILZHFOBLTQ-RDTBASBDSA-N", "inchikey2D": "XNIXILZHFOBLTQ", "names": [ "(1s,5e,8s,10e,12s,13s,15r,16s,17s,18s)-18-benzyl-20-hydroxy-6,8,15,16-tetramethyl-2,14-dioxa-19-azatetracyclo[10.8.0.0¹,¹⁷.0¹³,¹⁵]icosa-5,10,19-triene-3,7-dione" ], "molecular_formula": "C28H33NO5", "smiles": "C/C1=C\\CC(=O)O[C@@]23C(O)=N[C@@H](Cc4ccccc4)[C@@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@@H]3/C=C/C[C@H](C)C1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0152178" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "JLSVDPQAIKFBTO-USJRQALFSA-N": { "inchikey": "JLSVDPQAIKFBTO-USJRQALFSA-N", "inchikey2D": "JLSVDPQAIKFBTO", "names": [ "6-[(1e,3e,5e,7e)-8-(3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl)-7-methylocta-1,3,5,7-tetraen-1-yl]-4-methoxy-5-methylpyran-2-one" ], "molecular_formula": "C23H30O6", "smiles": "COc1cc(=O)oc(/C=C/C=C/C=C/C(C)=C/C2(C)OC(C)C(C)(O)C2O)c1C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0161085" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "GSKYCPXSDLXGEW-UHFFFAOYSA-N": { "inchikey": "GSKYCPXSDLXGEW-UHFFFAOYSA-N", "inchikey2D": "GSKYCPXSDLXGEW", "names": [ "4-methyl-1,3-dihydro-2-benzofuran-1,5,6,7-tetrol", "FR198248" ], "molecular_formula": "C9H10O5", "smiles": "Cc1c(O)c(O)c(O)c2c1COC2O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0099159", "npaid": "NPA005390" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "JNYUWTYXFKBOOZ-WOJBJXKFSA-N": { "inchikey": "JNYUWTYXFKBOOZ-WOJBJXKFSA-N", "inchikey2D": "JNYUWTYXFKBOOZ", "names": [ "(3r,6r)-3,6-dibenzyl-3,6-bis(methylsulfanyl)pyrazine-2,5-diol" ], "molecular_formula": "C20H22N2O2S2", "smiles": "CS[C@@]1(Cc2ccccc2)N=C(O)[C@@](Cc2ccccc2)(SC)N=C1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0241811" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "NZEBQKVTPTVMHB-XEFJRJENSA-N": { "inchikey": "NZEBQKVTPTVMHB-XEFJRJENSA-N", "inchikey2D": "NZEBQKVTPTVMHB", "names": [ "(1r,12r,15r,23s,24r)-16-acetyl-24-hydroxy-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetraazahexacyclo[12.10.0.0²,¹¹.0⁴,⁹.0¹⁵,²³.0¹⁷,²²]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione", "5-N-acetyl-16α-hydroxyardeemin" ], "molecular_formula": "C28H28N4O4", "smiles": "C=CC(C)(C)[C@]12c3ccccc3N(C(C)=O)[C@H]1N1C(=O)[C@@H](C)n3c(nc4ccccc4c3=O)[C@@H]1[C@@H]2O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0113432", "npaid": "NPA004131" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "WDDZJZXADGVZLS-UHFFFAOYSA-N": { "inchikey": "WDDZJZXADGVZLS-UHFFFAOYSA-N", "inchikey2D": "WDDZJZXADGVZLS", "names": [ "15-benzyl-6,12,17-trihydroxy-6,8,13,14-tetramethyl-8h,9h,11ah,12h,14ah,15h-1,3-dioxacyclotrideca[4,5-d]isoindole-2,7-dione" ], "molecular_formula": "C28H33NO7", "smiles": "CC1=C(C)C2C(Cc3ccccc3)N=C(O)C23OC(=O)OC=CC(C)(O)C(=O)C(C)CC=CC3C1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0111045" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "NGOLMNWQNHWEKU-DEOSSOPVSA-N": { "inchikey": "NGOLMNWQNHWEKU-DEOSSOPVSA-N", "inchikey2D": "NGOLMNWQNHWEKU", "names": [ "Butyrolactone I", "methyl (2s)-4-hydroxy-2-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate" ], "molecular_formula": "C24H24O7", "smiles": "COC(=O)[C@@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0264463", "npaid": "NPA010585" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "MHOOPNKRBMHHEC-RIAPOHOLSA-N": { "inchikey": "MHOOPNKRBMHHEC-RIAPOHOLSA-N", "inchikey2D": "MHOOPNKRBMHHEC", "names": [ "(4s,5s)-4,5-dihydroxy-3-[(1e)-prop-1-en-1-yl]cyclopent-2-en-1-one" ], "molecular_formula": "C8H10O3", "smiles": "C/C=C/C1=CC(=O)[C@@H](O)[C@H]1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0266940" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "COJARPHAKVBMFD-UHFFFAOYSA-N": { "inchikey": "COJARPHAKVBMFD-UHFFFAOYSA-N", "inchikey2D": "COJARPHAKVBMFD", "names": [ "3,4,5-trihydroxy-6-methylbenzene-1,2-dicarbaldehyde" ], "molecular_formula": "C9H8O5", "smiles": "Cc1c(O)c(O)c(O)c(C=O)c1C=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0217152" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "TXNJQKDZOVFCAQ-ZWSUVBHBSA-N": { "inchikey": "TXNJQKDZOVFCAQ-ZWSUVBHBSA-N", "inchikey2D": "TXNJQKDZOVFCAQ", "names": [ "(2s,10s,12s)-3-acetyl-13-hydroxy-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-4,6,8,13,15,17,19-heptaen-21-one", "Epi-aszonalenin A" ], "molecular_formula": "C25H25N3O3", "smiles": "C=CC(C)(C)[C@]12C[C@H]3C(O)=Nc4ccccc4C(=O)N3[C@H]1N(C(C)=O)c1ccccc12", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0263665", "npaid": "NPA008608" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "MHOOPNKRBMHHEC-HZIBQTDNSA-N": { "inchikey": "MHOOPNKRBMHHEC-HZIBQTDNSA-N", "inchikey2D": "MHOOPNKRBMHHEC", "names": [ "terrein" ], "molecular_formula": "C8H10O3", "smiles": "C/C=C/C1=CC(=O)[C@H](O)[C@H]1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0264790" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "GKDPVOBYIGAJSD-QGZVFWFLSA-N": { "inchikey": "GKDPVOBYIGAJSD-QGZVFWFLSA-N", "inchikey2D": "GKDPVOBYIGAJSD", "names": [ "methyl (2s)-5,7-dichloro-3',6-dihydroxy-2'-methoxy-4-methyl-3,4'-dioxospiro[1-benzofuran-2,1'-cyclohexane]-2',5'-diene-6'-carboxylate" ], "molecular_formula": "C17H12Cl2O8", "smiles": "COC(=O)C1=CC(=O)C(O)=C(OC)[C@@]12Oc1c(Cl)c(O)c(Cl)c(C)c1C2=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0258492" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "SLYDIPAXCVVRNY-VZUCSPMQSA-N": { "inchikey": "SLYDIPAXCVVRNY-VZUCSPMQSA-N", "inchikey2D": "SLYDIPAXCVVRNY", "names": [ "8-benzoyl-2-[(3e)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one" ], "molecular_formula": "C22H25NO8", "smiles": "CC/C=C/C(O)C(O)C1=C(C)C(=O)C2(O1)C(O)=NC(OC)(C(=O)c1ccccc1)C2O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0131331" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "ATFNSNUJZOYXFC-RQJHMYQMSA-N": { "inchikey": "ATFNSNUJZOYXFC-RQJHMYQMSA-N", "inchikey2D": "ATFNSNUJZOYXFC", "names": [ "Terreic acid", "terreic acid" ], "molecular_formula": "C7H6O4", "smiles": "CC1=C(O)C(=O)[C@@H]2O[C@@H]2C1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0276328", "npaid": "NPA000714" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "LFDYHAWYVIBCDT-OYKKKHCWSA-N": { "inchikey": "LFDYHAWYVIBCDT-OYKKKHCWSA-N", "inchikey2D": "LFDYHAWYVIBCDT", "names": [ "Aspulvinone H", "aspulvinone h" ], "molecular_formula": "C27H28O5", "smiles": "CC(C)=CCc1cc(/C=C2\\OC(=O)C(c3ccc(O)c(CC=C(C)C)c3)=C2O)ccc1O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0219278", "npaid": "NPA006062" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "UTVHCNQHDCRVMF-HMGCFDHMSA-N": { "inchikey": "UTVHCNQHDCRVMF-HMGCFDHMSA-N", "inchikey2D": "UTVHCNQHDCRVMF", "names": [ "(1r,12r,15s,23r)-16-acetyl-1-hydroxy-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetraazahexacyclo[12.10.0.0²,¹¹.0⁴,⁹.0¹⁵,²³.0¹⁷,²²]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione", "5-N-acetyl-15bβ- hydroxyardeemin" ], "molecular_formula": "C28H28N4O4", "smiles": "C=CC(C)(C)[C@@]12C[C@@]3(O)c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0073141", "npaid": "NPA014161" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "JLSVDPQAIKFBTO-UHFFFAOYSA-N": { "inchikey": "JLSVDPQAIKFBTO-UHFFFAOYSA-N", "inchikey2D": "JLSVDPQAIKFBTO", "names": [ "6-[8-(3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl)-7-methylocta-1,3,5,7-tetraen-1-yl]-4-methoxy-5-methylpyran-2-one" ], "molecular_formula": "C23H30O6", "smiles": "COc1cc(=O)oc(C=CC=CC=CC(C)=CC2(C)OC(C)C(C)(O)C2O)c1C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0117822" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "GSIXJGGFGLGVPF-BUWBCJGYSA-N": { "inchikey": "GSIXJGGFGLGVPF-BUWBCJGYSA-N", "inchikey2D": "GSIXJGGFGLGVPF", "names": [ "methyl (1r,5s,6s,9s)-11,11-dimethyl-2-methylidene-3-oxotricyclo[4.3.2.0¹,⁵]undecane-9-carboxylate" ], "molecular_formula": "C16H22O3", "smiles": "C=C1C(=O)C[C@H]2[C@@H]3CC[C@H](C(=O)OC)[C@]12CC3(C)C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0062152" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "NIRMZWVJIJSJIF-GOSISDBHSA-N": { "inchikey": "NIRMZWVJIJSJIF-GOSISDBHSA-N", "inchikey2D": "NIRMZWVJIJSJIF", "names": [ "(5r)-3-hydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]-5-methoxyfuran-2-one", "Isobutyrolactone II" ], "molecular_formula": "C18H16O6", "smiles": "CO[C@]1(Cc2ccc(O)cc2)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0199955", "npaid": "NPA000471" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "BNNVVTQUWNGKPH-UHFFFAOYSA-N": { "inchikey": "BNNVVTQUWNGKPH-UHFFFAOYSA-N", "inchikey2D": "BNNVVTQUWNGKPH", "names": [ "4-hydroxy-3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2-one" ], "molecular_formula": "C17H12O5", "smiles": "O=C1OC(=Cc2ccc(O)cc2)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0125434" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "ZJQJAOQHQVJSFD-UHFFFAOYSA-N": { "inchikey": "ZJQJAOQHQVJSFD-UHFFFAOYSA-N", "inchikey2D": "ZJQJAOQHQVJSFD", "names": [ "6-benzyl-1,4-dimethyl-3-(sec-butyl)-1,4-diazepane-2,5,7-trione", "Terretrione C" ], "molecular_formula": "C18H24N2O3", "smiles": "CCC(C)C1C(=O)N(C)C(=O)C(Cc2ccccc2)C(=O)N1C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0129106", "npaid": "NPA019857" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "KRBSCYNTGIRIAV-AWEZNQCLSA-N": { "inchikey": "KRBSCYNTGIRIAV-AWEZNQCLSA-N", "inchikey2D": "KRBSCYNTGIRIAV", "names": [ "[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl decanoate" ], "molecular_formula": "C16H30O4", "smiles": "CCCCCCCCCC(=O)OC[C@H]1COC(C)(C)O1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0058412" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "IUPFFJUFFWRGKA-UHFFFAOYSA-N": { "inchikey": "IUPFFJUFFWRGKA-UHFFFAOYSA-N", "inchikey2D": "IUPFFJUFFWRGKA", "names": [ "8-hydroxy-6-(4-hydroxy-2-methylphenoxy)-3-methyl-3,4-dihydro-2-benzopyran-1-one" ], "molecular_formula": "C17H16O5", "smiles": "Cc1cc(O)ccc1Oc1cc(O)c2c(c1)CC(C)OC2=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0057696" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "SLYDIPAXCVVRNY-HLWOSVFQSA-N": { "inchikey": "SLYDIPAXCVVRNY-HLWOSVFQSA-N", "inchikey2D": "SLYDIPAXCVVRNY", "names": [ "(5r,8s,9r)-8-benzoyl-2-[(1s,2r,3z)-1,2-dihydroxyhex-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one", "Pseurotin A3" ], "molecular_formula": "C22H25NO8", "smiles": "CC/C=C\\[C@@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(O)=N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0066287", "npaid": "NPA010369" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "PCZOHLXUXFIOCF-UHFFFAOYSA-N": { "inchikey": "PCZOHLXUXFIOCF-UHFFFAOYSA-N", "inchikey2D": "PCZOHLXUXFIOCF", "names": [ "8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate" ], "molecular_formula": "C24H36O5", "smiles": "CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0061740" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "NWSMSBOLLCRCSY-UHFFFAOYSA-N": { "inchikey": "NWSMSBOLLCRCSY-UHFFFAOYSA-N", "inchikey2D": "NWSMSBOLLCRCSY", "names": [ "(4-{[4-hydroxy-3-(4-hydroxyphenyl)-2-(methoxycarbonyl)-5-oxofuran-2-yl]methyl}-2-(3-methylbut-2-en-1-yl)phenyl)oxidanesulfonic acid" ], "molecular_formula": "C24H24O10S", "smiles": "COC(=O)C1(Cc2ccc(OS(=O)(=O)O)c(CC=C(C)C)c2)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0122018" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "OIOHFXVFNXRYPX-GWJCSSMESA-N": { "inchikey": "OIOHFXVFNXRYPX-GWJCSSMESA-N", "inchikey2D": "OIOHFXVFNXRYPX", "names": [ "methyl (5e,7r)-7-isopropyl-4,10-dioxoundec-5-enoate" ], "molecular_formula": "C15H24O4", "smiles": "COC(=O)CCC(=O)/C=C/[C@H](CCC(C)=O)C(C)C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0063077" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "CTMIBXKMQNCFFO-VCUSLETLSA-N": { "inchikey": "CTMIBXKMQNCFFO-VCUSLETLSA-N", "inchikey2D": "CTMIBXKMQNCFFO", "names": [ "methyl (2r)-4-hydroxy-2-{[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methyl}-5-oxo-3-phenylfuran-2-carboxylate" ], "molecular_formula": "C24H24O7", "smiles": "COC(=O)[C@]1(Cc2ccc3c(c2)CC(C(C)(C)O)O3)OC(=O)C(O)=C1c1ccccc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0192601" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "TUFJOFANNIXESE-UHFFFAOYSA-N": { "inchikey": "TUFJOFANNIXESE-UHFFFAOYSA-N", "inchikey2D": "TUFJOFANNIXESE", "names": [ "methyl 13-hydroxy-5,7,11,15,15,19-hexamethyl-4-methylidene-6,9,12,16-tetraoxo-2,8-dioxapentacyclo[9.8.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁹]nonadec-13-ene-7-carboxylate" ], "molecular_formula": "C26H30O9", "smiles": "C=C1C2OC23C2(C)CCC(=O)C(C)(C)C2=C(O)C(=O)C3(C)C2C(=O)OC(C)(C(=O)OC)C(=O)C12C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0122588" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "OJCUHOMXXINHDN-ZKRXJUSPSA-N": { "inchikey": "OJCUHOMXXINHDN-ZKRXJUSPSA-N", "inchikey2D": "OJCUHOMXXINHDN", "names": [ "(2s,4ar,4bs,5s,6ar,10as,10bs,12as)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-octahydrophenanthro[1,2-c]pyran-1,4,6,8-tetrone", "Asperterpene F" ], "molecular_formula": "C24H32O6", "smiles": "C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@@H]3C(=O)[C@@H](O)[C@]2(C)[C@H]2C(=O)O[C@@H](C)C(=O)[C@]12C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0193100", "npaid": "NPA022780" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "FKTWUGWPZKJARC-UHFFFAOYSA-N": { "inchikey": "FKTWUGWPZKJARC-UHFFFAOYSA-N", "inchikey2D": "FKTWUGWPZKJARC", "names": [ "16-hydroxy-1,12-bis(methylsulfanyl)-2,13-dioxo-8,19-dioxa-3,14-diazapentacyclo[12.8.0.0³,¹².0⁴,¹⁰.0¹⁵,²¹]docosa-6,9,17,20-tetraen-5-yl acetate" ], "molecular_formula": "C22H24N2O7S2", "smiles": "CSC12CC3=COC=CC(O)C3N1C(=O)C1(SC)CC3=COC=CC(OC(C)=O)C3N1C2=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0221512" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "MSIKUCWYBHJVCH-UHFFFAOYSA-N": { "inchikey": "MSIKUCWYBHJVCH-UHFFFAOYSA-N", "inchikey2D": "MSIKUCWYBHJVCH", "names": [ "6,8-dihydroxy-7-methyl-1h-spiro[2-benzopyran-3,2'-oxolan]-4-one", "Terreinol" ], "molecular_formula": "C13H14O5", "smiles": "Cc1c(O)cc2c(c1O)COC1(CCCO1)C2=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0186849", "npaid": "NPA014429" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "VQSXFZXCXRKORH-UHFFFAOYSA-N": { "inchikey": "VQSXFZXCXRKORH-UHFFFAOYSA-N", "inchikey2D": "VQSXFZXCXRKORH", "names": [ "3-acetyl-12,13-dihydroxy-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-4,6,8,13,15,17,19-heptaen-21-one" ], "molecular_formula": "C25H25N3O4", "smiles": "C=CC(C)(C)C12CC3(O)C(O)=Nc4ccccc4C(=O)N3C1N(C(C)=O)c1ccccc12", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0204167" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "ATLGSZPVKAPATP-UHFFFAOYSA-N": { "inchikey": "ATLGSZPVKAPATP-UHFFFAOYSA-N", "inchikey2D": "ATLGSZPVKAPATP", "names": [ "2,14-dihydroxy-11,15,15-trimethyl-7-(3,4,5-trimethoxyphenyl)-6,10,17-trioxapentacyclo[14.2.2.0¹,¹⁴.0²,¹¹.0⁴,⁹]icosa-4(9),7-diene-5,19-dione" ], "molecular_formula": "C29H34O10", "smiles": "COc1cc(-c2cc3c(c(=O)o2)CC2(O)C(C)(CCC4(O)C(C)(C)C5CC(=O)C24CO5)O3)cc(OC)c1OC", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0134969" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "NTVNGZBHDKMMHU-FQMPNGJUSA-N": { "inchikey": "NTVNGZBHDKMMHU-FQMPNGJUSA-N", "inchikey2D": "NTVNGZBHDKMMHU", "names": [ "7,9-dimethyl (4as,6s,6as,7r,7as,9s,10ar,11as,11bs)-6-hydroxy-4,4,6a,7a,9,10a,11b-heptamethyl-3,5,8-trioxo-hexahydro-1h-phenanthro[3,2-b]furan-7,9-dicarboxylate" ], "molecular_formula": "C27H38O9", "smiles": "COC(=O)[C@@H]1[C@@]2(C)[C@H](O)C(=O)[C@@H]3C(C)(C)C(=O)CC[C@@]3(C)[C@@H]2C[C@@]2(C)O[C@](C)(C(=O)OC)C(=O)[C@@]12C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0206302" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "IRJGMAFRZLADJC-UHFFFAOYSA-N": { "inchikey": "IRJGMAFRZLADJC-UHFFFAOYSA-N", "inchikey2D": "IRJGMAFRZLADJC", "names": [ "Asterridinone", "bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]furo[3,2-b]furan-2,5-dione" ], "molecular_formula": "C32H28N2O4", "smiles": "C=CC(C)(C)n1cc(C2=C3OC(=O)C(c4cn(C(C)(C)C=C)c5ccccc45)=C3OC2=O)c2ccccc21", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0036124", "npaid": "NPA013261" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "IPNFIJZLKRHDGH-LJIFJXJPSA-N": { "inchikey": "IPNFIJZLKRHDGH-LJIFJXJPSA-N", "inchikey2D": "IPNFIJZLKRHDGH", "names": [ "(1r,5r,9r)-9-(hydroxymethyl)-11,11-dimethyl-2-methylidenetricyclo[4.3.2.0¹,⁵]undecan-3-one" ], "molecular_formula": "C15H22O2", "smiles": "C=C1C(=O)C[C@@H]2C3CC[C@@H](CO)[C@]12CC3(C)C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0055995" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "JZKQUOQREZSLLO-ZJZGAYNASA-N": { "inchikey": "JZKQUOQREZSLLO-ZJZGAYNASA-N", "inchikey2D": "JZKQUOQREZSLLO", "names": [ "(4s,12s,17s,25s)-2,15-dimethoxy-13,26-dioxa-11,24-diazaheptacyclo[14.10.0.0³,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁷,²⁵.0¹⁸,²³]hexacosa-1,3(14),5,7,9,15,18,20,22-nonaene-4,17-diol" ], "molecular_formula": "C24H20N2O6", "smiles": "COc1c2c(c(OC)c3c1[C@@]1(O)c4ccccc4N[C@H]1O3)[C@@]1(O)c3ccccc3N[C@H]1O2", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0124756" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "FABIJJMKSJBJCJ-UHFFFAOYSA-N": { "inchikey": "FABIJJMKSJBJCJ-UHFFFAOYSA-N", "inchikey2D": "FABIJJMKSJBJCJ", "names": [ "2-(1h-indol-3-yl)-3,6-dimethoxy-5-[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]cyclohexa-2,5-diene-1,4-dione" ], "molecular_formula": "C29H26N2O4", "smiles": "COC1=C(c2c[nH]c3ccccc23)C(=O)C(OC)=C(c2c[nH]c3c(CC=C(C)C)cccc23)C1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0122359" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "CYHGEJACRPDZDP-RSQIKLETSA-N": { "inchikey": "CYHGEJACRPDZDP-RSQIKLETSA-N", "inchikey2D": "CYHGEJACRPDZDP", "names": [ "terretonin" ], "molecular_formula": "C26H32O9", "smiles": "C=C1C[C@@]2(O)[C@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@]2(C)[C@H]2C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]12C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0236745" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "FWHAYHIGJSFGKO-UHFFFAOYSA-N": { "inchikey": "FWHAYHIGJSFGKO-UHFFFAOYSA-N", "inchikey2D": "FWHAYHIGJSFGKO", "names": [ "methyl 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"toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "QNUWWXUBTHSGPY-UHFFFAOYSA-N": { "inchikey": "QNUWWXUBTHSGPY-UHFFFAOYSA-N", "inchikey2D": "QNUWWXUBTHSGPY", "names": [ "2-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-(hydroxymethyl)-3-methylcyclopentan-1-one" ], "molecular_formula": "C17H24O4", "smiles": "COc1cc(C)c(CC2(CO)C(=O)CCC2C)c(OC)c1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0181098" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "WTZJVQVTJIUAJG-UHFFFAOYSA-N": { "inchikey": "WTZJVQVTJIUAJG-UHFFFAOYSA-N", "inchikey2D": "WTZJVQVTJIUAJG", "names": [ "3-[(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methyl]-4-(4-hydroxyphenyl)furan-2,5-dione", "Aperterone C" ], "molecular_formula": "C22H20O5", "smiles": "CC1(C)CCc2cc(CC3=C(c4ccc(O)cc4)C(=O)OC3=O)ccc2O1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0177681", "npaid": "NPA017889" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "YOBDVZGDIRRERU-PMACEKPBSA-N": { "inchikey": "YOBDVZGDIRRERU-PMACEKPBSA-N", "inchikey2D": "YOBDVZGDIRRERU", "names": [ "(3s,5r)-3-[3-hydroxy-4-(3-methylbut-2-en-1-yl)phenyl]-5-[(4-hydroxyphenyl)methyl]oxolan-2-one" ], "molecular_formula": "C22H24O4", "smiles": "CC(C)=CCc1ccc([C@@H]2C[C@H](Cc3ccc(O)cc3)OC2=O)cc1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0215315" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "VMGKCTQSPITGEV-UHFFFAOYSA-N": { "inchikey": "VMGKCTQSPITGEV-UHFFFAOYSA-N", "inchikey2D": "VMGKCTQSPITGEV", "names": [ "2-(1h-indol-3-yl)-3,6-dimethoxy-5-[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]cyclohexa-2,5-diene-1,4-dione" ], "molecular_formula": "C29H26N2O4", "smiles": "C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(OC)C(=O)C(c2c[nH]c3ccccc23)=C(OC)C1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0216188" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "AVIRMQMUBGNCKS-RWCYGVJQSA-N": { "inchikey": "AVIRMQMUBGNCKS-RWCYGVJQSA-N", "inchikey2D": "AVIRMQMUBGNCKS", "names": [ "dehydrocurvularin" ], "molecular_formula": "C16H18O5", "smiles": "C[C@H]1CCC/C=C/C(=O)c2c(O)cc(O)cc2CC(=O)O1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0083657" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "OWIJLQLPOIFVQO-UHFFFAOYSA-N": { "inchikey": "OWIJLQLPOIFVQO-UHFFFAOYSA-N", "inchikey2D": "OWIJLQLPOIFVQO", "names": [ "3-hydroxy-5,7-dimethoxy-2,3-dihydro-1-benzofuran-6-carboxylic acid" ], "molecular_formula": "C11H12O6", "smiles": "COc1cc2c(c(OC)c1C(=O)O)OCC2O", 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"6-[(1e,3e,5e,7e)-8-[(2r,3s,4s,5s)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-7-methylocta-1,3,5,7-tetraen-1-yl]-4-methoxy-5-methylpyran-2-one" ], "molecular_formula": "C23H30O6", "smiles": "COc1cc(=O)oc(/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)c1C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0236952" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "YVUJATOOBNWJDN-UHFFFAOYSA-N": { "inchikey": "YVUJATOOBNWJDN-UHFFFAOYSA-N", "inchikey2D": "YVUJATOOBNWJDN", "names": [ "3-hydroxy-2-{[hydroxy(4-hydroxy-1-methyl-2-oxopteridin-6-yl)methylidene]amino}-n-[2-(methoxycarbonyl)phenyl]butanimidic acid" ], "molecular_formula": "C20H20N6O7", "smiles": "COC(=O)c1ccccc1N=C(O)C(N=C(O)c1cnc2c(n1)c(O)nc(=O)n2C)C(C)O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0073638" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "BJIMPBHILOPLBT-UHFFFAOYSA-N": { "inchikey": "BJIMPBHILOPLBT-UHFFFAOYSA-N", "inchikey2D": "BJIMPBHILOPLBT", "names": [ "2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carbaldehyde" ], "molecular_formula": "C12H14O3", "smiles": "CC(C)(O)C1Cc2cc(C=O)ccc2O1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0072206" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "NVAIFFOQCAKMAH-UHFFFAOYSA-N": { "inchikey": "NVAIFFOQCAKMAH-UHFFFAOYSA-N", "inchikey2D": "NVAIFFOQCAKMAH", "names": [ "methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-{[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methyl}-5-oxofuran-2-carboxylate" ], "molecular_formula": "C24H24O8", "smiles": "COC(=O)C1(Cc2ccc3c(c2)CC(C(C)(C)O)O3)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0192811" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "OIOHFXVFNXRYPX-UHFFFAOYSA-N": { "inchikey": "OIOHFXVFNXRYPX-UHFFFAOYSA-N", "inchikey2D": "OIOHFXVFNXRYPX", "names": [ "methyl 7-isopropyl-4,10-dioxoundec-5-enoate" ], "molecular_formula": "C15H24O4", "smiles": "COC(=O)CCC(=O)C=CC(CCC(C)=O)C(C)C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0071714" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "BNNVVTQUWNGKPH-NTEUORMPSA-N": { "inchikey": "BNNVVTQUWNGKPH-NTEUORMPSA-N", "inchikey2D": "BNNVVTQUWNGKPH", "names": [ "(5e)-4-hydroxy-3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2-one", "Isoaspulvinone E" ], "molecular_formula": "C17H12O5", "smiles": "O=C1O/C(=C/c2ccc(O)cc2)C(O)=C1c1ccc(O)cc1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0077183", "npaid": "NPA000967" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "YCHNFUWRXHTAFK-UHFFFAOYSA-N": { "inchikey": "YCHNFUWRXHTAFK-UHFFFAOYSA-N", "inchikey2D": "YCHNFUWRXHTAFK", "names": [ "methyl 2-[(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate" ], "molecular_formula": "C24H24O7", "smiles": "COC(=O)C1(Cc2ccc3c(c2)CCC(C)(C)O3)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0083746" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "CZPXYYJFJHQNNH-UHFFFAOYSA-N": { "inchikey": "CZPXYYJFJHQNNH-UHFFFAOYSA-N", "inchikey2D": "CZPXYYJFJHQNNH", "names": [ "1-(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-3-(4-hydroxyphenyl)propan-2-one", "1-(2,2-dimethylchroman-6-yl)-3-(4-hydroxyphenyl)propan-2-one" ], "molecular_formula": "C20H22O3", "smiles": "CC1(C)CCc2cc(CC(=O)Cc3ccc(O)cc3)ccc2O1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0085324", "npaid": "NPA022947" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "AVIRMQMUBGNCKS-UHFFFAOYSA-N": { "inchikey": "AVIRMQMUBGNCKS-UHFFFAOYSA-N", "inchikey2D": "AVIRMQMUBGNCKS", "names": [ "11,13-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxacyclododecine-2,10-dione" ], "molecular_formula": "C16H18O5", "smiles": "CC1CCCC=CC(=O)c2c(O)cc(O)cc2CC(=O)O1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0221833" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "IOYVXXQKVQKQIG-UHFFFAOYSA-N": { "inchikey": "IOYVXXQKVQKQIG-UHFFFAOYSA-N", "inchikey2D": "IOYVXXQKVQKQIG", "names": [ "8-hydroxy-4-(propan-2-ylidene)-10-oxatricyclo[7.2.1.0¹,⁵]dodecane-8-carboxylic acid" ], "molecular_formula": "C15H22O4", "smiles": "CC(C)=C1CCC23COC(C2)C(O)(C(=O)O)CCC13", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0122529" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "WKXLKFKKGRSLNI-UHFFFAOYSA-N": { "inchikey": "WKXLKFKKGRSLNI-UHFFFAOYSA-N", "inchikey2D": "WKXLKFKKGRSLNI", "names": [ "4-[(2,2-dimethylchromen-6-yl)methyl]-5-hydroxy-3-(4-hydroxyphenyl)pyrrol-2-one" ], "molecular_formula": "C22H19NO4", "smiles": "CC1(C)C=Cc2cc(CC3=C(c4ccc(O)cc4)C(=O)N=C3O)ccc2O1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0084067" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "BNNQNJBXFAFMOE-UHFFFAOYSA-N": { "inchikey": "BNNQNJBXFAFMOE-UHFFFAOYSA-N", "inchikey2D": "BNNQNJBXFAFMOE", "names": [ "5-(1h-indol-3-yl)-3,6-dimethoxy-8-oxa-10-azatetracyclo[7.7.0.0²,⁷.0¹¹,¹⁶]hexadeca-2,4,6,11,13,15-hexaene-1,4-diol" ], "molecular_formula": "C24H20N2O5", "smiles": "COc1c2c(c(OC)c(O)c1-c1c[nH]c3ccccc13)C1(O)c3ccccc3NC1O2", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0076035" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "QPSHETAOAVLQIF-AYGDVHJDSA-N": { "inchikey": "QPSHETAOAVLQIF-AYGDVHJDSA-N", "inchikey2D": "QPSHETAOAVLQIF", "names": [ "6-[(1e,3e,5e,7e)-8-[(2r,3s,4s,5s)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-7-methylocta-1,3,5,7-tetraen-1-yl]-4-methoxy-3-methylpyran-2-one", "Citreoviridin 1b" ], "molecular_formula": "C23H30O6", "smiles": "COc1cc(/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0090580", "npaid": "NPA002748" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "JCBGMXDVXDFMAS-CXOVXGEYSA-N": { "inchikey": "JCBGMXDVXDFMAS-CXOVXGEYSA-N", "inchikey2D": "JCBGMXDVXDFMAS", "names": [ "3-[(1s,2s,4ar,6s,8as)-6-hydroxy-2,6-dimethyl-2,4a,5,7,8,8a-hexahydro-1h-naphthalen-1-yl]propanoic acid" ], "molecular_formula": "C15H24O3", "smiles": "C[C@H]1C=C[C@H]2C[C@@](C)(O)CC[C@@H]2[C@H]1CCC(=O)O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0129263" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "DQRCGWGRLNVJTL-AUWJEWJLSA-N": { "inchikey": "DQRCGWGRLNVJTL-AUWJEWJLSA-N", "inchikey2D": "DQRCGWGRLNVJTL", "names": [ "(5z)-5-[(2,4-dihydroxyphenyl)methylidene]-4-hydroxy-3-(4-hydroxyphenyl)furan-2-one" ], "molecular_formula": "C17H12O6", "smiles": "O=C1O/C(=C\\c2ccc(O)cc2O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0073806" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "ARZWKYJFXLHKCZ-XUJYPJAKSA-N": { "inchikey": "ARZWKYJFXLHKCZ-XUJYPJAKSA-N", "inchikey2D": "ARZWKYJFXLHKCZ", "names": [ "(5ar,7ar,11as,11bs)-7a,11b-dihydroxy-3-(4-methoxyphenyl)-5a,8,8,11a-tetramethyl-7,10,11,12-tetrahydro-6h-2,5-dioxatetraphene-1,9-dione" ], "molecular_formula": "C27H32O7", "smiles": "COc1ccc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)CCC(=O)C(C)(C)[C@@]4(O)CC[C@@]2(C)O3)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0083978" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, 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"C=C1C=C2[C@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@]2(C)[C@H]2C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]12C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0218358" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "YJSKZPJMAWLHMN-UHFFFAOYSA-N": { "inchikey": "YJSKZPJMAWLHMN-UHFFFAOYSA-N", "inchikey2D": "YJSKZPJMAWLHMN", "names": [ "2-(1h-indol-3-yl)-3,6-dimethoxy-5-[7-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]cyclohexa-2,5-diene-1,4-dione" ], "molecular_formula": "C34H34N2O4", "smiles": "C=CC(C)(C)c1[nH]c2c(CC=C(C)C)cccc2c1C1=C(OC)C(=O)C(c2c[nH]c3ccccc23)=C(OC)C1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0229029" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "TUFJOFANNIXESE-QPEYRODOSA-N": { "inchikey": "TUFJOFANNIXESE-QPEYRODOSA-N", "inchikey2D": 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"COc1ccc(-c2cc3c(c(=O)o2)CC2(O)C(C)(CCC4(O)C(C)(C)OC(=O)CCC42C)O3)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0145454" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "CTMIBXKMQNCFFO-HOYKHHGWSA-N": { "inchikey": "CTMIBXKMQNCFFO-HOYKHHGWSA-N", "inchikey2D": "CTMIBXKMQNCFFO", "names": [ "methyl (2r)-4-hydroxy-2-{[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methyl}-5-oxo-3-phenylfuran-2-carboxylate" ], "molecular_formula": "C24H24O7", "smiles": "COC(=O)[C@]1(Cc2ccc3c(c2)C[C@H](C(C)(C)O)O3)OC(=O)C(O)=C1c1ccccc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0092849" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "QFYAMSVHGKUQAI-RWDPWNMBSA-N": { "inchikey": "QFYAMSVHGKUQAI-RWDPWNMBSA-N", "inchikey2D": "QFYAMSVHGKUQAI", "names": [ "(1s,2s,5r,9r,12s)-9-hydroxy-13,13-dimethyl-7-oxatetracyclo[7.5.0.0¹,⁵.0²,¹²]tetradecane-4,8-dione" ], "molecular_formula": "C15H20O4", "smiles": "CC1(C)C[C@]23[C@H]4CC(=O)[C@H]2COC(=O)[C@@]3(O)CC[C@@H]41", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0023743" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "QKRDCXNLINQVQN-QXYKFECQSA-N": { "inchikey": "QKRDCXNLINQVQN-QXYKFECQSA-N", "inchikey2D": "QKRDCXNLINQVQN", "names": [ "(2s)-2-[(2s)-2-[(1-hydroxyethylidene)amino]-n,3-dimethylbutanamido]-3-methyl-n-[(1z)-2-[2-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]ethenyl]butanimidic acid", "Terpeptin" ], "molecular_formula": "C28H40N4O3", "smiles": "CC(C)=CCc1[nH]c2ccccc2c1/C=C\\N=C(O)[C@H](C(C)C)N(C)C(=O)[C@@H](N=C(C)O)C(C)C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0103365", "npaid": "NPA018291" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "URGMJTWQYIQDDO-JUDWXZBOSA-N": { "inchikey": "URGMJTWQYIQDDO-JUDWXZBOSA-N", "inchikey2D": "URGMJTWQYIQDDO", "names": [ "(5ar,7ar,11as,11bs)-7a,11b-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-5a,8,8,11a-tetramethyl-7,12-dihydro-6h-2,5-dioxatetraphene-1,11-dione", "Territrem D" ], "molecular_formula": "C28H32O9", "smiles": "COc1cc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)C(=O)C=CC(C)(C)[C@]4(O)CC[C@@]2(C)O3)cc(O)c1OC", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0161717", "npaid": "NPA011058" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "ZTGDSDBTYUOLEK-UHFFFAOYSA-N": { "inchikey": "ZTGDSDBTYUOLEK-UHFFFAOYSA-N", "inchikey2D": "ZTGDSDBTYUOLEK", "names": [ "4-hydroxy-3-[3-hydroxy-4-(3-methylbut-2-en-1-yl)phenyl]-5-[(4-hydroxyphenyl)methylidene]furan-2-one" ], "molecular_formula": "C22H20O5", "smiles": "CC(C)=CCc1ccc(C2=C(O)C(=Cc3ccc(O)cc3)OC2=O)cc1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0024847" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "MNIWVYZRLOFLBX-KHTMQFLISA-N": { "inchikey": "MNIWVYZRLOFLBX-KHTMQFLISA-N", "inchikey2D": "MNIWVYZRLOFLBX", "names": [ "(1r,4s,5s,12r,15s,16s)-16-(acetyloxy)-1,12-bis(methylsulfanyl)-2,13-dioxo-8,19-dioxa-3,14-diazapentacyclo[12.8.0.0³,¹².0⁴,¹⁰.0¹⁵,²¹]docosa-6,9,17,20-tetraen-5-yl acetate" ], "molecular_formula": "C24H26N2O8S2", "smiles": "CS[C@@]12CC3=COC=C[C@H](OC(C)=O)[C@H]3N1C(=O)[C@]1(SC)CC3=COC=C[C@H](OC(C)=O)[C@H]3N1C2=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0094621" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "SEETYEZEEVLMJA-NEVCATMESA-N": { "inchikey": "SEETYEZEEVLMJA-NEVCATMESA-N", "inchikey2D": "SEETYEZEEVLMJA", "names": [ "(1r,2r,5r,8r,11r)-5,12,12-trimethyl-6-oxatetracyclo[6.5.0.0¹,⁵.0²,¹¹]tridecane-4,7-dione" ], "molecular_formula": "C15H20O3", "smiles": "CC1(C)C[C@]23[C@H]4CC[C@@H]1[C@H]2CC(=O)[C@]3(C)OC4=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0189948" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "QUSUCMRGJBZSBW-RXFWQSSRSA-N": { "inchikey": "QUSUCMRGJBZSBW-RXFWQSSRSA-N", "inchikey2D": "QUSUCMRGJBZSBW", "names": [ "methyl (2r)-2-({3-[(2s)-2,3-dihydroxy-3-methylbutyl]-4-hydroxyphenyl}methyl)-4-ethoxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate" ], "molecular_formula": "C26H30O9", "smiles": "CCOC1=C(c2ccc(O)cc2)[C@](Cc2ccc(O)c(C[C@H](O)C(C)(C)O)c2)(C(=O)OC)OC1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0078209" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "WUCRGJAHBCTMHG-BJFOPFPESA-N": { "inchikey": "WUCRGJAHBCTMHG-BJFOPFPESA-N", "inchikey2D": "WUCRGJAHBCTMHG", "names": [ "(1s,2r,5s,8r,11r)-5-(hydroxymethyl)-12,12-dimethyl-6-oxatetracyclo[6.5.0.0¹,⁵.0²,¹¹]tridecane-4,7-dione" ], "molecular_formula": "C15H20O4", "smiles": "CC1(C)C[C@@]23[C@H]4CC[C@@H]1[C@H]2CC(=O)[C@]3(CO)OC4=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0165297" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "UXTSGZSCMMEVEW-UHFFFAOYSA-N": { "inchikey": "UXTSGZSCMMEVEW-UHFFFAOYSA-N", "inchikey2D": "UXTSGZSCMMEVEW", "names": [ "methyl 6a,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,6,8-pentaoxo-tetrahydrophenanthro[1,2-c]pyran-2-carboxylate" ], "molecular_formula": "C26H32O10", "smiles": "C=C1CC2(O)C(C)(C(=O)C(=O)C3(O)C(C)(C)C(=O)CCC23C)C2C(=O)OC(C)(C(=O)OC)C(=O)C12C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0098117" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "ZUNUFYOVWKPTQY-ZROIWOOFSA-N": { "inchikey": "ZUNUFYOVWKPTQY-ZROIWOOFSA-N", "inchikey2D": "ZUNUFYOVWKPTQY", "names": [ "(2z)-5-hydroxy-4-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]furan-3-one" ], "molecular_formula": "C17H12O5", "smiles": "O=C1C(c2ccc(O)cc2)=C(O)O/C1=C\\c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0072832" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "OTOPJMIRVXJOPK-DIEBFMLZSA-N": { "inchikey": "OTOPJMIRVXJOPK-DIEBFMLZSA-N", "inchikey2D": "OTOPJMIRVXJOPK", "names": [ "Asperterpene H", "ethyl (2s,4ar,4bs,5s,6as,10as,10bs,12as)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,6,8-tetraoxo-hexahydro-4ah-phenanthro[1,2-c]pyran-2-carboxylate" ], "molecular_formula": "C27H36O8", "smiles": "C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3C(=O)[C@@H](O)[C@]2(C)[C@H]2C(=O)O[C@](C)(C(=O)OCC)C(=O)[C@]12C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0087855", "npaid": "NPA022782" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "MOFTYCBBUIGCKI-OIMNJJJWSA-N": { "inchikey": "MOFTYCBBUIGCKI-OIMNJJJWSA-N", "inchikey2D": "MOFTYCBBUIGCKI", "names": [ "(1s,5s,7r,8r)-7-hydroxy-4-(propan-2-ylidene)-9-oxatricyclo[6.2.1.0¹,⁵]undecane-7-carboxylic acid" ], "molecular_formula": "C14H20O4", "smiles": "CC(C)=C1CC[C@]23CO[C@H](C2)[C@@](O)(C(=O)O)C[C@@H]13", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0099687" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "LCJHAHVVYAVVPA-JUDWXZBOSA-N": { "inchikey": "LCJHAHVVYAVVPA-JUDWXZBOSA-N", "inchikey2D": "LCJHAHVVYAVVPA", "names": [ "(5ar,7ar,11as,11bs)-7a,11b-dihydroxy-3-(7-methoxy-2h-1,3-benzodioxol-5-yl)-5a,8,8,11a-tetramethyl-7,12-dihydro-6h-2,5-dioxatetraphene-1,11-dione" ], "molecular_formula": "C28H30O9", "smiles": "COc1cc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)C(=O)C=CC(C)(C)[C@]4(O)CC[C@@]2(C)O3)cc2c1OCO2", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0182155" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "AOFMVUCAUSHJLI-JQPIIJRMSA-N": { "inchikey": "AOFMVUCAUSHJLI-JQPIIJRMSA-N", "inchikey2D": "AOFMVUCAUSHJLI", "names": [ "(1r,4r,13s,14r,16r)-13-hydroxy-16-methoxy-8-(4-methoxyphenyl)-4,14,19,19-tetramethyl-5,9,18-trioxapentacyclo[14.2.1.0¹,¹⁴.0⁴,¹³.0⁶,¹¹]nonadeca-6(11),7-diene-10,15,17-trione", "Terreulactone A" ], "molecular_formula": "C28H30O9", "smiles": "COc1ccc(-c2cc3c(c(=O)o2)C[C@@]2(O)[C@@](C)(CC[C@]45OC(=O)[C@](OC)(C(=O)[C@]24C)C5(C)C)O3)cc1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0186158", "npaid": "NPA018501" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "UUJQXWCJZMPOBC-UHFFFAOYSA-N": { "inchikey": "UUJQXWCJZMPOBC-UHFFFAOYSA-N", "inchikey2D": "UUJQXWCJZMPOBC", "names": [ "methyl 4-hydroxy-2-{[4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]methyl}-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate" ], "molecular_formula": "C25H26O8", "smiles": "COC(=O)C1(Cc2cc(CC=C(C)C)c(O)c(OC)c2)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0092456" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "UPZFQAPMUIHLPL-APQGENJFSA-N": { "inchikey": "UPZFQAPMUIHLPL-APQGENJFSA-N", "inchikey2D": "UPZFQAPMUIHLPL", "names": [ "(2s)-2-[(1e,3e)-hexa-1,3-dien-1-yl]-5-(2-hydroxypropyl)-2-methylfuran-3-one", "Terrefuranone" ], "molecular_formula": "C14H20O3", "smiles": "CC/C=C/C=C/[C@]1(C)OC(CC(C)O)=CC1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0102681", "npaid": "NPA013285" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "YONHOSLUBQJXPR-KCQAQPDRSA-N": { "inchikey": "YONHOSLUBQJXPR-KCQAQPDRSA-N", "inchikey2D": "YONHOSLUBQJXPR", "names": [ "(+)-Aristolochene", "aristolochene" ], "molecular_formula": "C15H24", "smiles": "C=C(C)[C@H]1CC=C2CCC[C@H](C)[C@@]2(C)C1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Aspergillus terreus", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0007157", "npaid": "NPA001796" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "GREY:Aspergillus terreus", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "GDYAJHUWOOEIEA-UHFFFAOYSA-N": { "inchikey": "GDYAJHUWOOEIEA-UHFFFAOYSA-N", "inchikey2D": "GDYAJHUWOOEIEA", "names": [ "methyl 2-[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate" ], "molecular_formula": "C14H18O4", "smiles": "COC(=O)Cc1ccc2c(c1)CC(C(C)(C)O)O2", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0006963" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "FYGDJPQMWQAMHZ-UHFFFAOYSA-N": { "inchikey": "FYGDJPQMWQAMHZ-UHFFFAOYSA-N", "inchikey2D": "FYGDJPQMWQAMHZ", "names": [ "2,5-dimethoxy-3-[7-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]-6-[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]cyclohexa-2,5-diene-1,4-dione" ], "molecular_formula": "C39H42N2O4", "smiles": "C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(OC)C(=O)C(c2c(C(C)(C)C=C)[nH]c3c(CC=C(C)C)cccc23)=C(OC)C1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0207176" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "KLBQENYQBDKIGM-UHFFFAOYSA-N": { "inchikey": "KLBQENYQBDKIGM-UHFFFAOYSA-N", "inchikey2D": "KLBQENYQBDKIGM", "names": [ "methyl 9-hydroxy-2-(2-hydroxy-3-methoxy-2-methyl-3-oxopropanoyl)-2,4b,8,8,10a-pentamethyl-3-methylidene-7,10-dioxo-4,4a,5,6-tetrahydro-1h-phenanthrene-1-carboxylate" ], "molecular_formula": "C27H36O9", "smiles": "C=C1CC2C3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)C2(C)C(C(=O)OC)C1(C)C(=O)C(C)(O)C(=O)OC", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0006548" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "BFDQKBYABNXUJF-UHFFFAOYSA-N": { "inchikey": "BFDQKBYABNXUJF-UHFFFAOYSA-N", "inchikey2D": "BFDQKBYABNXUJF", "names": [ "3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)furan-2,5-dione", "Asperterone" ], "molecular_formula": "C22H20O5", "smiles": "CC(C)=CCc1cc(CC2=C(c3ccc(O)cc3)C(=O)OC2=O)ccc1O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0179740", "npaid": "NPA007370" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "QCPXFZKWSHOJCI-UHFFFAOYSA-N": { "inchikey": "QCPXFZKWSHOJCI-UHFFFAOYSA-N", "inchikey2D": "QCPXFZKWSHOJCI", "names": [ "3-[(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methyl]-5-hydroxy-4-(4-hydroxyphenyl)-5h-furan-2-one" ], "molecular_formula": "C22H22O5", "smiles": "CC1(C)CCc2cc(CC3=C(c4ccc(O)cc4)C(O)OC3=O)ccc2O1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0018091" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "DSOGYBQXIUXXBY-YAOOYPAMSA-N": { "inchikey": "DSOGYBQXIUXXBY-YAOOYPAMSA-N", "inchikey2D": "DSOGYBQXIUXXBY", "names": [ "(1s,2s,8s,11r)-1,8-dihydroxy-15-(4-methoxyphenyl)-2,7,7,11-tetramethyl-6,12,16-trioxatetracyclo[9.8.0.0²,⁸.0¹³,¹⁸]nonadeca-13(18),14-diene-5,17-dione", "Isoterreulactone A" ], "molecular_formula": "C27H32O8", "smiles": "COc1ccc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)CCC(=O)OC(C)(C)[C@]4(O)CC[C@@]2(C)O3)cc1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0030885", "npaid": "NPA013153" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "KDQCNOMWAKRNFL-KAKBQZBMSA-N": { "inchikey": "KDQCNOMWAKRNFL-KAKBQZBMSA-N", "inchikey2D": "KDQCNOMWAKRNFL", "names": [ "(4r,6r)-4-hydroxy-6-{2-[(1r,2r,3s,6r)-3-methoxy-2,6-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl}oxan-2-one" ], "molecular_formula": "C20H32O4", "smiles": "CO[C@@H]1C=C2C[C@H](C)CCC2[C@@H](CC[C@@H]2C[C@@H](O)CC(=O)O2)[C@H]1C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0074798" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "LUBKKVGXMXTXOZ-QGZVFWFLSA-N": { "inchikey": "LUBKKVGXMXTXOZ-QGZVFWFLSA-N", "inchikey2D": "LUBKKVGXMXTXOZ", "names": [ "geodin" ], "molecular_formula": "C17H12Cl2O7", "smiles": "COC(=O)C1=CC(=O)C=C(OC)[C@]12Oc1c(Cl)c(C)c(Cl)c(O)c1C2=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0168533" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "QKFPWZKTZYTQIO-UHFFFAOYSA-N": { "inchikey": "QKFPWZKTZYTQIO-UHFFFAOYSA-N", "inchikey2D": "QKFPWZKTZYTQIO", "names": [ "3-(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-4-hydroxy-5-{[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2-one" ], "molecular_formula": "C27H28O6", "smiles": "CC1(C)CCc2cc(C3=C(O)C(=Cc4ccc5c(c4)CC(C(C)(C)O)O5)OC3=O)ccc2O1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0168360" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "KFJVNPYEFKMGFB-UHFFFAOYSA-N": { "inchikey": "KFJVNPYEFKMGFB-UHFFFAOYSA-N", "inchikey2D": "KFJVNPYEFKMGFB", "names": [ "12-(acetyloxy)-1-hydroxy-16-isopropyl-6,10,13-trimethylpentacyclo[9.7.0.0²,⁷.0³,⁷.0¹³,¹⁷]octadecane-2-carboxylic acid" ], "molecular_formula": "C27H42O5", "smiles": "CC(=O)OC1C2C(C)CCC34C(C)CCC3C4(C(=O)O)C2(O)CC2C(C(C)C)CCC21C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0058398" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "DHLPMLVSBRRUGA-RXMQYKEDSA-N": { "inchikey": "DHLPMLVSBRRUGA-RXMQYKEDSA-N", "inchikey2D": "DHLPMLVSBRRUGA", "names": [ "6-hydroxymellein" ], "molecular_formula": "C10H10O4", "smiles": "C[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0197597" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "QPBNFQKLPIXNFL-ONGXEEELSA-N": { "inchikey": "QPBNFQKLPIXNFL-ONGXEEELSA-N", "inchikey2D": "QPBNFQKLPIXNFL", "names": [ "(4s,8s)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione" ], "molecular_formula": "C16H20O6", "smiles": "C[C@H]1CCC[C@H](O)CC(=O)c2c(O)cc(O)cc2CC(=O)O1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0027670" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "MJCHJLWNXODVGT-XMMPIXPASA-N": { "inchikey": "MJCHJLWNXODVGT-XMMPIXPASA-N", "inchikey2D": "MJCHJLWNXODVGT", "names": [ "Aspernolide B", "methyl (2r)-4-hydroxy-2-{[4-hydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]methyl}-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate" ], "molecular_formula": "C24H26O8", "smiles": "COC(=O)[C@]1(Cc2ccc(O)c(CCC(C)(C)O)c2)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0110231", "npaid": "NPA019627" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "DEIJYXBBTBAMIX-UHFFFAOYSA-N": { "inchikey": "DEIJYXBBTBAMIX-UHFFFAOYSA-N", "inchikey2D": "DEIJYXBBTBAMIX", "names": [ "11-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4-dioxo-decahydrophenanthro[1,2-c]pyran-8-yl acetate" ], "molecular_formula": "C26H38O6", "smiles": "C=C1C(O)C2C(C)(CCC3C(C)(C)C(OC(C)=O)CCC32C)C2C(=O)OC(C)C(=O)C12C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0182059" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "LQXOQQDQMGUPAV-QRVIBDJDSA-N": { "inchikey": "LQXOQQDQMGUPAV-QRVIBDJDSA-N", "inchikey2D": "LQXOQQDQMGUPAV", "names": [ "(5z)-4-hydroxy-5-[(7-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methylidene]-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]furan-2-one" ], "molecular_formula": "C27H28O6", "smiles": "CC(C)=CCc1cc(C2=C(O)/C(=C/c3cc4c(cc3O)OC(C)(C)CC4)OC2=O)ccc1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0185931" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "XLEVGQVQFXMEHD-XKZIYDEJSA-N": { "inchikey": "XLEVGQVQFXMEHD-XKZIYDEJSA-N", "inchikey2D": "XLEVGQVQFXMEHD", "names": [ "(5z)-3-(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-4-hydroxy-5-[(7-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methylidene]furan-2-one" ], "molecular_formula": "C27H28O6", "smiles": "CC1(C)CCc2cc(C3=C(O)/C(=C/c4cc5c(cc4O)OC(C)(C)CC5)OC3=O)ccc2O1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0094990" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "OUIVYIDKZLJROL-LBPRGKRZSA-N": { "inchikey": "OUIVYIDKZLJROL-LBPRGKRZSA-N", "inchikey2D": "OUIVYIDKZLJROL", "names": [ "(2s)-3-hydroxy-2-{[hydroxy(4-hydroxy-1-methyl-2-oxopteridin-6-yl)methylidene]amino}-n-[2-(methoxycarbonyl)phenyl]propanimidic acid", "Terrelumamide B" ], "molecular_formula": "C19H18N6O7", "smiles": "COC(=O)c1ccccc1N=C(O)[C@H](CO)N=C(O)c1cnc2c(n1)c(O)nc(=O)n2C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0175476", "npaid": "NPA012882" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "HDDPDGAEWFESMF-VGMNWLOBSA-N": { "inchikey": "HDDPDGAEWFESMF-VGMNWLOBSA-N", "inchikey2D": "HDDPDGAEWFESMF", "names": [ "(3s,6s)-3-[(2r)-butan-2-yl]-1,4-dihydroxy-6-isopropylpiperazine-2,5-dione" ], "molecular_formula": "C11H20N2O4", "smiles": "CC[C@@H](C)[C@H]1C(=O)N(O)[C@@H](C(C)C)C(=O)N1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0114882" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "DSOGYBQXIUXXBY-LGTXBLIGSA-N": { "inchikey": "DSOGYBQXIUXXBY-LGTXBLIGSA-N", "inchikey2D": "DSOGYBQXIUXXBY", "names": [ "(1r,2r,8r,11s)-1,8-dihydroxy-15-(4-methoxyphenyl)-2,7,7,11-tetramethyl-6,12,16-trioxatetracyclo[9.8.0.0²,⁸.0¹³,¹⁸]nonadeca-13(18),14-diene-5,17-dione" ], "molecular_formula": "C27H32O8", "smiles": "COc1ccc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@](C)(CC[C@]4(O)C(C)(C)OC(=O)CC[C@]42C)O3)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0027731" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "UQZCXQAHQVWOAC-NDENLUEZSA-N": { "inchikey": "UQZCXQAHQVWOAC-NDENLUEZSA-N", "inchikey2D": "UQZCXQAHQVWOAC", "names": [ "(5z)-5-[(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one", "Rubrolide S" ], "molecular_formula": "C22H20O4", "smiles": 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"CC(=O)O[C@H]1C[C@H]2C(C)(C)OC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)O[C@@]4(C[C@H]3[C@]12C)c1ccccc1N1C(=O)C2(CC2)N[C@@H]14", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0110157", "npaid": "NPA010053" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "AVVXZSFAPUSQEX-UHFFFAOYSA-N": { "inchikey": "AVVXZSFAPUSQEX-UHFFFAOYSA-N", "inchikey2D": "AVVXZSFAPUSQEX", "names": [ "Terremide C", "methyl 3,4,5-trimethoxy-2-[4-oxo-2-(pyridin-3-yl)quinazolin-3-yl]benzoate" ], "molecular_formula": "C24H21N3O6", "smiles": "COC(=O)c1cc(OC)c(OC)c(OC)c1-n1c(-c2cccnc2)nc2ccccc2c1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0197956", "npaid": "NPA004428" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", 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"inchikey2D": "ATLGSZPVKAPATP", "names": [ "(1s,2s,11r,14r)-2,14-dihydroxy-11,15,15-trimethyl-7-(3,4,5-trimethoxyphenyl)-6,10,17-trioxapentacyclo[14.2.2.0¹,¹⁴.0²,¹¹.0⁴,⁹]icosa-4(9),7-diene-5,19-dione", "Territrem B" ], "molecular_formula": "C29H34O10", "smiles": "COc1cc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]45COC(CC4=O)C(C)(C)[C@]5(O)CC[C@@]2(C)O3)cc(OC)c1OC", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0114702", "npaid": "NPA012273" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "DMNGMPUUTCDWTM-UHFFFAOYSA-N": { "inchikey": "DMNGMPUUTCDWTM-UHFFFAOYSA-N", "inchikey2D": "DMNGMPUUTCDWTM", "names": [ "1-hydroxy-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}pyrazin-2-one" ], "molecular_formula": "C20H23N3O3", "smiles": "COc1nc(C)c(=O)n(O)c1Cc1c[nH]c2c(CC=C(C)C)cccc12", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0177835" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "SRZXYFCAKRTTNY-JJAZPSFLSA-N": { "inchikey": "SRZXYFCAKRTTNY-JJAZPSFLSA-N", "inchikey2D": "SRZXYFCAKRTTNY", "names": [ "Asperterpene K", "methyl (1r,2s,4as,4bs,8as,10as)-2-[(2s)-2-hydroxy-3-methoxy-2-methyl-3-oxopropanoyl]-2,4b,8,8,10a-pentamethyl-3-methylidene-7,9-dioxo-hexahydro-1h-phenanthrene-1-carboxylate" ], "molecular_formula": "C27H38O8", "smiles": "C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3C(=O)C[C@]2(C)[C@@H](C(=O)OC)[C@]1(C)C(=O)[C@](C)(O)C(=O)OC", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0094134", "npaid": "NPA022785" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "SMAWCSOVJJHIOI-RSQPEXBXSA-N": { "inchikey": "SMAWCSOVJJHIOI-RSQPEXBXSA-N", "inchikey2D": "SMAWCSOVJJHIOI", "names": [ "(1r,5r,6r,9r)-11,11-dimethyl-2-methylidene-3-oxotricyclo[4.3.2.0¹,⁵]undecane-9-carboxylic acid" ], "molecular_formula": "C15H20O3", "smiles": "C=C1C(=O)C[C@@H]2[C@H]3CC[C@@H](C(=O)O)[C@]12CC3(C)C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0116751" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "VQSXFZXCXRKORH-CAOCKLPOSA-N": { "inchikey": "VQSXFZXCXRKORH-CAOCKLPOSA-N", "inchikey2D": "VQSXFZXCXRKORH", "names": [ "(2s,10r,12s)-3-acetyl-12,13-dihydroxy-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-4,6,8,13,15,17,19-heptaen-21-one", "Asterrelenin" ], "molecular_formula": "C25H25N3O4", "smiles": "C=CC(C)(C)[C@@]12C[C@]3(O)C(O)=Nc4ccccc4C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": 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"(2s,4ar,4bs,6r,6as,10as,10bs,12as)-6-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-octahydrophenanthro[1,2-c]pyran-1,4,5,8-tetrone" ], "molecular_formula": "C24H32O6", "smiles": "C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3[C@@H](O)C(=O)[C@]2(C)[C@H]2C(=O)O[C@@H](C)C(=O)[C@]12C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0049013" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "OLBHIGPILGBPMF-WWEGCXEZSA-N": { "inchikey": "OLBHIGPILGBPMF-WWEGCXEZSA-N", "inchikey2D": "OLBHIGPILGBPMF", "names": [ "(6r,8s,11as,12s,14s,14as,15s,17as)-15-benzyl-6,12,17-trihydroxy-6,8,14-trimethyl-13-methylidene-8h,9h,11ah,12h,14h,14ah,15h-1,3-dioxacyclotrideca[4,5-d]isoindole-2,7-dione" ], "molecular_formula": "C28H33NO7", "smiles": "C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)N=C(O)[C@]23OC(=O)O/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O", "species": [ "[query-hint] Aspergillus terreus" ], 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"species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0179493", "npaid": "NPA019003" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "SMAWCSOVJJHIOI-GUSCCFJKSA-N": { "inchikey": "SMAWCSOVJJHIOI-GUSCCFJKSA-N", "inchikey2D": "SMAWCSOVJJHIOI", "names": [ "(1r,5r,9r)-11,11-dimethyl-2-methylidene-3-oxotricyclo[4.3.2.0¹,⁵]undecane-9-carboxylic acid" ], "molecular_formula": "C15H20O3", "smiles": "C=C1C(=O)C[C@@H]2C3CC[C@@H](C(=O)O)[C@]12CC3(C)C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0206928" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "ZLBRGMMCUDDXLB-CPUMHDPCSA-N": { "inchikey": "ZLBRGMMCUDDXLB-CPUMHDPCSA-N", "inchikey2D": "ZLBRGMMCUDDXLB", "names": [ "(1'r,2s,2'r,8'r,9s,9as,10's,11'r,12's,16's)-2,2',7',7',11',16'-hexamethyl-3,5'-dioxo-2,9a-dihydro-1h-6',15'-dioxaspiro[imidazo[1,2-a]indole-9,14'-tetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecan]-10'-yl acetate", "Teraspiridole C" ], "molecular_formula": "C33H44N2O6", "smiles": "CC(=O)O[C@H]1C[C@H]2C(C)(C)OC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)O[C@@]4(C[C@H]3[C@]12C)c1ccccc1N1C(=O)[C@H](C)N[C@@H]14", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0150074", "npaid": "NPA012757" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "FKTWUGWPZKJARC-NEEVBFIGSA-N": { "inchikey": "FKTWUGWPZKJARC-NEEVBFIGSA-N", "inchikey2D": "FKTWUGWPZKJARC", "names": [ "(1r,4s,5s,12r,15s,16s)-16-hydroxy-1,12-bis(methylsulfanyl)-2,13-dioxo-8,19-dioxa-3,14-diazapentacyclo[12.8.0.0³,¹².0⁴,¹⁰.0¹⁵,²¹]docosa-6,9,17,20-tetraen-5-yl acetate" ], "molecular_formula": "C22H24N2O7S2", "smiles": "CS[C@@]12CC3=COC=C[C@H](O)[C@H]3N1C(=O)[C@]1(SC)CC3=COC=C[C@H](OC(C)=O)[C@H]3N1C2=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0151291" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "UXTSGZSCMMEVEW-RAXSXEJPSA-N": { "inchikey": "UXTSGZSCMMEVEW-RAXSXEJPSA-N", "inchikey2D": "UXTSGZSCMMEVEW", "names": [ "Terretonin B", "methyl (2r,4ar,4bs,6as,10ar,10bs,12ar)-6a,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,6,8-pentaoxo-tetrahydrophenanthro[1,2-c]pyran-2-carboxylate" ], "molecular_formula": "C26H32O10", "smiles": "C=C1C[C@@]2(O)[C@@](C)(C(=O)C(=O)[C@@]3(O)C(C)(C)C(=O)CC[C@@]32C)[C@@H]2C(=O)O[C@@](C)(C(=O)OC)C(=O)[C@@]12C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0183561", "npaid": "NPA008873" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "JZKQUOQREZSLLO-UHFFFAOYSA-N": { "inchikey": "JZKQUOQREZSLLO-UHFFFAOYSA-N", "inchikey2D": "JZKQUOQREZSLLO", "names": [ "2,15-dimethoxy-13,26-dioxa-11,24-diazaheptacyclo[14.10.0.0³,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁷,²⁵.0¹⁸,²³]hexacosa-1,3(14),5,7,9,15,18,20,22-nonaene-4,17-diol" ], "molecular_formula": "C24H20N2O6", "smiles": "COc1c2c(c(OC)c3c1C1(O)c4ccccc4NC1O3)C1(O)c3ccccc3NC1O2", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0135043" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "XMAWYJWBFIGONN-XMMPIXPASA-N": { "inchikey": "XMAWYJWBFIGONN-XMMPIXPASA-N", "inchikey2D": "XMAWYJWBFIGONN", "names": [ "methyl (1r)-1,3-bis(1h-indol-3-yl)-4-methoxy-2,5-dioxocyclopent-3-ene-1-carboxylate" ], "molecular_formula": "C24H18N2O5", "smiles": "COC(=O)[C@@]1(c2c[nH]c3ccccc23)C(=O)C(OC)=C(c2c[nH]c3ccccc23)C1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0186321" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "SEETYEZEEVLMJA-SSZYYHHOSA-N": { "inchikey": "SEETYEZEEVLMJA-SSZYYHHOSA-N", "inchikey2D": "SEETYEZEEVLMJA", "names": [ "(1r,2s,5s,8s,11s)-5,12,12-trimethyl-6-oxatetracyclo[6.5.0.0¹,⁵.0²,¹¹]tridecane-4,7-dione" ], "molecular_formula": "C15H20O3", "smiles": "CC1(C)C[C@]23[C@@H]4CC[C@H]1[C@@H]2CC(=O)[C@@]3(C)OC4=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0153153" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "ZKPLXHLJGTUBJR-UHFFFAOYSA-N": { "inchikey": "ZKPLXHLJGTUBJR-UHFFFAOYSA-N", "inchikey2D": "ZKPLXHLJGTUBJR", "names": [ "methyl 4-ethoxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate" ], "molecular_formula": "C21H20O7", "smiles": "CCOC1=C(c2ccc(O)cc2)C(Cc2ccc(O)cc2)(C(=O)OC)OC1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0205102" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "LGJVYTQKCOXZFU-NYYXPOKDSA-N": { "inchikey": "LGJVYTQKCOXZFU-NYYXPOKDSA-N", "inchikey2D": "LGJVYTQKCOXZFU", "names": [ "(2e)-3-methoxy-3-[(3s,4r,5r)-5-methoxy-4,5-dimethyloxolan-3-yl]prop-2-enoic acid" ], "molecular_formula": "C11H18O5", "smiles": "CO/C(=C/C(=O)O)[C@@H]1CO[C@@](C)(OC)[C@@H]1C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0205371" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "JMCDMHGWWJHEDF-NEEVBFIGSA-N": { "inchikey": "JMCDMHGWWJHEDF-NEEVBFIGSA-N", "inchikey2D": "JMCDMHGWWJHEDF", "names": [ "(1r,4s,5s,11r,14s,15s)-5-hydroxy-1,11-bis(methylsulfanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.0³,¹¹.0⁴,⁹.0¹⁴,²⁰]henicosa-6,8,16,19-tetraen-15-yl acetate" ], "molecular_formula": "C22H24N2O6S2", "smiles": "CS[C@@]12CC3=CC=C[C@H](O)[C@H]3N1C(=O)[C@]1(SC)CC3=COC=C[C@H](OC(C)=O)[C@H]3N1C2=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0170929" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "QNUWWXUBTHSGPY-SJKOYZFVSA-N": { "inchikey": "QNUWWXUBTHSGPY-SJKOYZFVSA-N", "inchikey2D": "QNUWWXUBTHSGPY", "names": [ "(2s,3r)-2-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-(hydroxymethyl)-3-methylcyclopentan-1-one" ], "molecular_formula": "C17H24O4", "smiles": "COc1cc(C)c(C[C@]2(CO)C(=O)CC[C@H]2C)c(OC)c1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0145451" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "WEOWAYMMZVELOQ-UHFFFAOYSA-N": { "inchikey": "WEOWAYMMZVELOQ-UHFFFAOYSA-N", "inchikey2D": "WEOWAYMMZVELOQ", "names": [ "2,5-dimethoxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione" ], "molecular_formula": "C20H16O4", "smiles": "COC1=C(c2ccccc2)C(=O)C(OC)=C(c2ccccc2)C1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0195459" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "UUKUTWRPYUMVID-UHFFFAOYSA-N": { "inchikey": "UUKUTWRPYUMVID-UHFFFAOYSA-N", "inchikey2D": "UUKUTWRPYUMVID", "names": [ "methyl 6,8-dichloro-5-hydroxy-2'-methoxy-7-methyl-4,4'-dioxospiro[1,3-benzodioxine-2,1'-cyclohexane]-2',5'-diene-6'-carboxylate" ], "molecular_formula": "C17H12Cl2O8", "smiles": "COC(=O)C1=CC(=O)C=C(OC)C12OC(=O)c1c(O)c(Cl)c(C)c(Cl)c1O2", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0135071" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "NFDGWNUTVNONNC-RSQPEXBXSA-N": { "inchikey": "NFDGWNUTVNONNC-RSQPEXBXSA-N", "inchikey2D": "NFDGWNUTVNONNC", "names": [ "(1s,5r,6r,9r)-10,10-dimethyl-2-methylidene-3-oxotricyclo[4.3.2.0¹,⁵]undecane-9-carboxylic acid" ], "molecular_formula": "C15H20O3", "smiles": "C=C1C(=O)C[C@@H]2[C@@H]3CC[C@@H](C(=O)O)[C@@]12C(C)(C)C3", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0179266" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "QUSUCMRGJBZSBW-UHFFFAOYSA-N": { "inchikey": "QUSUCMRGJBZSBW-UHFFFAOYSA-N", "inchikey2D": "QUSUCMRGJBZSBW", "names": [ "methyl 2-{[3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxyphenyl]methyl}-4-ethoxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate" ], "molecular_formula": "C26H30O9", "smiles": "CCOC1=C(c2ccc(O)cc2)C(Cc2ccc(O)c(CC(O)C(C)(C)O)c2)(C(=O)OC)OC1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0204995" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "LBVPDFGFLMFDPI-GWCFXTLKSA-N": { "inchikey": "LBVPDFGFLMFDPI-GWCFXTLKSA-N", "inchikey2D": "LBVPDFGFLMFDPI", "names": [ "(4s,8s)-11,13-dihydroxy-8-methoxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione", "11-α-methoxycurvularin" ], "molecular_formula": "C17H22O6", "smiles": "CO[C@H]1CCC[C@H](C)OC(=O)Cc2cc(O)cc(O)c2C(=O)C1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0177578", "npaid": "NPA009088" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "GREY:Aspergillus terreus" ] }, "RTPUFVIDLSEXOV-UHFFFAOYSA-N": { "inchikey": "RTPUFVIDLSEXOV-UHFFFAOYSA-N", "inchikey2D": "RTPUFVIDLSEXOV", "names": [ "2,5-dimethoxy-3-[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]-6-[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]cyclohexa-2,5-diene-1,4-dione", "Asterriquinone B1" ], "molecular_formula": "C34H34N2O4", "smiles": "C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(OC)C(=O)C(c2c[nH]c3c(CC=C(C)C)cccc23)=C(OC)C1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0163311", "npaid": "NPA001834" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "BMEBTFADGPZRQD-ROUUACIJSA-N": { "inchikey": "BMEBTFADGPZRQD-ROUUACIJSA-N", "inchikey2D": "BMEBTFADGPZRQD", "names": [ "(1s,11s)-1,11-disulfanyl-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-4,6,8,14,16,18-hexaene-2,12-dione" ], "molecular_formula": "C18H14N2O2S2", "smiles": "O=C1N2c3ccccc3C[C@]2(S)C(=O)N2c3ccccc3C[C@]12S", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0162409" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "VOCWMGRIYMFSCC-ZKOCZPRTSA-N": { "inchikey": "VOCWMGRIYMFSCC-ZKOCZPRTSA-N", "inchikey2D": "VOCWMGRIYMFSCC", "names": [ "methyl (2r,4as,4br,5r,6ar,10ar,10br,12ar)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,6,8-tetraoxo-hexahydro-4ah-phenanthro[1,2-c]pyran-2-carboxylate" ], "molecular_formula": "C26H34O8", "smiles": "C=C1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C(=O)[C@H](O)[C@@]2(C)[C@@H]2C(=O)O[C@@](C)(C(=O)OC)C(=O)[C@@]12C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0154034" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "IVPGMNQTDHNSBX-UHFFFAOYSA-N": { "inchikey": "IVPGMNQTDHNSBX-UHFFFAOYSA-N", "inchikey2D": "IVPGMNQTDHNSBX", "names": [ "2,5-bis(1h-indol-3-yl)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione", "Asterriquinone D" ], "molecular_formula": "C24H18N2O4", "smiles": "COC1=C(c2c[nH]c3ccccc23)C(=O)C(OC)=C(c2c[nH]c3ccccc23)C1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0147167", "npaid": "NPA010427" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "AEKPZNDJHWFONI-LJQANCHMSA-N": { "inchikey": "AEKPZNDJHWFONI-LJQANCHMSA-N", "inchikey2D": "AEKPZNDJHWFONI", "names": [ "methyl (2r)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate" ], "molecular_formula": "C19H16O7", "smiles": "COC(=O)[C@]1(Cc2ccc(O)cc2)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0149631" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "UPZFQAPMUIHLPL-JVADZJFHSA-N": { "inchikey": "UPZFQAPMUIHLPL-JVADZJFHSA-N", "inchikey2D": "UPZFQAPMUIHLPL", "names": [ "(2s)-2-[(1e,3e)-hexa-1,3-dien-1-yl]-5-[(2s)-2-hydroxypropyl]-2-methylfuran-3-one" ], "molecular_formula": "C14H20O3", "smiles": "CC/C=C/C=C/[C@]1(C)OC(C[C@H](C)O)=CC1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0143885" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "LCJHAHVVYAVVPA-UHFFFAOYSA-N": { "inchikey": "LCJHAHVVYAVVPA-UHFFFAOYSA-N", "inchikey2D": "LCJHAHVVYAVVPA", "names": [ "7a,11b-dihydroxy-3-(7-methoxy-2h-1,3-benzodioxol-5-yl)-5a,8,8,11a-tetramethyl-7,12-dihydro-6h-2,5-dioxatetraphene-1,11-dione" ], "molecular_formula": "C28H30O9", "smiles": "COc1cc(-c2cc3c(c(=O)o2)CC2(O)C(C)(CCC4(O)C(C)(C)C=CC(=O)C42C)O3)cc2c1OCO2", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0149550" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "GDYAJHUWOOEIEA-GFCCVEGCSA-N": { "inchikey": "GDYAJHUWOOEIEA-GFCCVEGCSA-N", "inchikey2D": "GDYAJHUWOOEIEA", "names": [ "Methyl (R)-2-(2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-yl) acetate", "methyl 2-[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]acetate" ], "molecular_formula": "C14H18O4", "smiles": "COC(=O)Cc1ccc2c(c1)C[C@H](C(C)(C)O)O2", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0169264", "npaid": "NPA022946" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "DRPFBXYQCLHDGV-UHFFFAOYSA-N": { "inchikey": "DRPFBXYQCLHDGV-UHFFFAOYSA-N", "inchikey2D": "DRPFBXYQCLHDGV", "names": [ "3-{[4-hydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]methyl}-4-(4-hydroxyphenyl)furan-2,5-dione", "Aperterone B" ], "molecular_formula": "C22H22O6", "smiles": "CC(C)(O)CCc1cc(CC2=C(c3ccc(O)cc3)C(=O)OC2=O)ccc1O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0141362", "npaid": "NPA008061" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "LQQAQOUQLWJDIL-ZHZKRVOISA-N": { "inchikey": "LQQAQOUQLWJDIL-ZHZKRVOISA-N", "inchikey2D": "LQQAQOUQLWJDIL", "names": [ "Asperterpene M", "methyl (3s,4ar,4bs,6as,10as,10bs,12ar)-3,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,6,8-tetraoxo-hexahydro-3h-phenanthro[2,1-c]pyran-4a-carboxylate" ], "molecular_formula": "C26H34O7", "smiles": "C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3C(=O)C[C@]2(C)[C@]2(C(=O)OC)C(=O)[C@H](C)OC(=O)[C@]12C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0141010", "npaid": "NPA022777" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "QPBNFQKLPIXNFL-UHFFFAOYSA-N": { "inchikey": "QPBNFQKLPIXNFL-UHFFFAOYSA-N", "inchikey2D": "QPBNFQKLPIXNFL", "names": [ "8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione" ], "molecular_formula": "C16H20O6", "smiles": "CC1CCCC(O)CC(=O)c2c(O)cc(O)cc2CC(=O)O1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0141697" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "INWBNVWKWLOEKI-UHFFFAOYSA-N": { "inchikey": "INWBNVWKWLOEKI-UHFFFAOYSA-N", "inchikey2D": "INWBNVWKWLOEKI", "names": [ "3-[3-hydroxy-4-(3-methylbut-2-en-1-yl)phenyl]-5-[(4-hydroxyphenyl)methylidene]-4-methyloxolan-2-one" ], "molecular_formula": "C23H24O4", "smiles": "CC(C)=CCc1ccc(C2C(=O)OC(=Cc3ccc(O)cc3)C2C)cc1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0132639" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "UQYFJJRVYCPYQI-GAJTVXKRSA-N": { "inchikey": "UQYFJJRVYCPYQI-GAJTVXKRSA-N", "inchikey2D": "UQYFJJRVYCPYQI", "names": [ "2-({[(2s,3r,4s)-4-acetyl-3-methyloxolan-2-yl]oxy}methyl)-3-methylcyclopent-2-en-1-one" ], "molecular_formula": "C14H20O4", "smiles": "CC(=O)[C@@H]1CO[C@@H](OCC2=C(C)CCC2=O)[C@@H]1C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0142873" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "INWBNVWKWLOEKI-MTJSOVHGSA-N": { "inchikey": "INWBNVWKWLOEKI-MTJSOVHGSA-N", "inchikey2D": "INWBNVWKWLOEKI", "names": [ "(5z)-3-[3-hydroxy-4-(3-methylbut-2-en-1-yl)phenyl]-5-[(4-hydroxyphenyl)methylidene]-4-methyloxolan-2-one", "(Z)-3-[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]-5-(4-hydroxybenzylidene)-4-methyldihydrofuran-2(3H)-one" ], "molecular_formula": "C23H24O4", "smiles": "CC(C)=CCc1ccc(C2C(=O)O/C(=C\\c3ccc(O)cc3)C2C)cc1O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0153148", "npaid": "NPA001479" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "CKXDJBIVHGLXSZ-FJZBCQJGSA-N": { "inchikey": "CKXDJBIVHGLXSZ-FJZBCQJGSA-N", "inchikey2D": "CKXDJBIVHGLXSZ", "names": [ "(3s,5z)-3-[3-hydroxy-4-(3-methylbut-2-en-1-yl)phenyl]-5-[(4-hydroxyphenyl)methylidene]oxolan-2-one" ], "molecular_formula": "C22H22O4", "smiles": "CC(C)=CCc1ccc([C@@H]2C/C(=C/c3ccc(O)cc3)OC2=O)cc1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0154329" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "VRDPIJDRSGUDPU-YUMQZZPRSA-N": { "inchikey": "VRDPIJDRSGUDPU-YUMQZZPRSA-N", "inchikey2D": "VRDPIJDRSGUDPU", "names": [ "(3s,6s)-1,4-dihydroxy-3,6-diisopropylpiperazine-2,5-dione" ], "molecular_formula": "C10H18N2O4", "smiles": "CC(C)[C@H]1C(=O)N(O)[C@@H](C(C)C)C(=O)N1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0153401" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "WPGTVFRLUUSKCP-UHFFFAOYSA-N": { "inchikey": "WPGTVFRLUUSKCP-UHFFFAOYSA-N", "inchikey2D": "WPGTVFRLUUSKCP", "names": [ "2,5-dimethoxy-3,6-bis[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]cyclohexa-2,5-diene-1,4-dione" ], "molecular_formula": "C34H34N2O4", "smiles": "C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(OC)C(=O)C(c2c(C(C)(C)C=C)[nH]c3ccccc23)=C(OC)C1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0154133" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "AENKBRFCOPMCEQ-GOGZTAQTSA-N": { "inchikey": "AENKBRFCOPMCEQ-GOGZTAQTSA-N", "inchikey2D": "AENKBRFCOPMCEQ", "names": [ "(5ar,7ar,11as,11bs)-7a,11b-dihydroxy-9-methoxy-5a,8,8,11a-tetramethyl-3-(3,4,5-trimethoxyphenyl)-7,12-dihydro-6h-2,5-dioxatetraphene-1,11-dione", "Terreulactone D" ], "molecular_formula": "C30H36O10", "smiles": "COC1=CC(=O)[C@]2(C)[C@@]3(O)Cc4c(cc(-c5cc(OC)c(OC)c(OC)c5)oc4=O)O[C@]3(C)CC[C@@]2(O)C1(C)C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0163798", "npaid": "NPA017367" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "NWSMSBOLLCRCSY-XMMPIXPASA-N": { "inchikey": "NWSMSBOLLCRCSY-XMMPIXPASA-N", "inchikey2D": "NWSMSBOLLCRCSY", "names": [ "(4-{[(2r)-4-hydroxy-3-(4-hydroxyphenyl)-2-(methoxycarbonyl)-5-oxofuran-2-yl]methyl}-2-(3-methylbut-2-en-1-yl)phenyl)oxidanesulfonic acid", "Butyrolactone I 4''-sulfate" ], "molecular_formula": "C24H24O10S", "smiles": "COC(=O)[C@]1(Cc2ccc(OS(=O)(=O)O)c(CC=C(C)C)c2)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0153917", "npaid": "NPA003693" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "JICCDSOXRQWNCM-UHFFFAOYSA-N": { "inchikey": "JICCDSOXRQWNCM-UHFFFAOYSA-N", "inchikey2D": "JICCDSOXRQWNCM", "names": [ "methyl 2-{[3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxyphenyl]methyl}-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate" ], "molecular_formula": "C24H26O9", "smiles": "COC(=O)C1(Cc2ccc(O)c(CC(O)C(C)(C)O)c2)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0155390" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "KDYFJFSVVRRIPW-BLEXPUOFSA-N": { "inchikey": "KDYFJFSVVRRIPW-BLEXPUOFSA-N", "inchikey2D": "KDYFJFSVVRRIPW", "names": [ "(2s,4ar,4bs,5s,6r,6as,10as,10bs,12as)-5,6-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-octahydro-2h-phenanthro[1,2-c]pyran-1,4,8-trione" ], "molecular_formula": "C24H34O6", "smiles": "C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3[C@@H](O)[C@@H](O)[C@]2(C)[C@H]2C(=O)O[C@@H](C)C(=O)[C@]12C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0163620" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "IIUYCUAFSQXIAZ-XNCNABBASA-N": { "inchikey": "IIUYCUAFSQXIAZ-XNCNABBASA-N", "inchikey2D": "IIUYCUAFSQXIAZ", "names": [ "Asperterpene I", "methyl (1r,2s,4as,4bs,7r,8as,10s,10as)-7,10-dihydroxy-2-[(2s)-2-hydroxy-3-methoxy-2-methyl-3-oxopropanoyl]-2,4b,8,8,10a-pentamethyl-3-methylidene-9-oxo-octahydrophenanthrene-1-carboxylate" ], "molecular_formula": "C27H40O9", "smiles": "C=C1C[C@H]2[C@]3(C)CC[C@@H](O)C(C)(C)[C@H]3C(=O)[C@@H](O)[C@]2(C)[C@@H](C(=O)OC)[C@]1(C)C(=O)[C@](C)(O)C(=O)OC", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0146096", "npaid": "NPA022783" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "XMAWYJWBFIGONN-UHFFFAOYSA-N": { "inchikey": "XMAWYJWBFIGONN-UHFFFAOYSA-N", "inchikey2D": "XMAWYJWBFIGONN", "names": [ "Asterredione", "methyl 1,3-bis(1h-indol-3-yl)-4-methoxy-2,5-dioxocyclopent-3-ene-1-carboxylate" ], "molecular_formula": "C24H18N2O5", "smiles": "COC(=O)C1(c2c[nH]c3ccccc23)C(=O)C(OC)=C(c2c[nH]c3ccccc23)C1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0158024", "npaid": "NPA019805" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "GTEJJXOFLPCZGJ-DOFPOEDPSA-N": { "inchikey": "GTEJJXOFLPCZGJ-DOFPOEDPSA-N", "inchikey2D": "GTEJJXOFLPCZGJ", "names": [ "Terretonin A", "methyl (2r,4as,4br,10ar,10br,12ar)-6-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,8-tetraoxo-4ah,9h,10h,10bh,11h-phenanthro[1,2-c]pyran-2-carboxylate" ], "molecular_formula": "C26H32O8", "smiles": "C=C1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@@]2(C)[C@@H]2C(=O)O[C@@](C)(C(=O)OC)C(=O)[C@@]12C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0150035", "npaid": "NPA003398" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "KOBHRKRRZILYFW-UHFFFAOYSA-N": { "inchikey": "KOBHRKRRZILYFW-UHFFFAOYSA-N", "inchikey2D": "KOBHRKRRZILYFW", "names": [ "9-[4-hydroxy-6-(4-methoxyphenyl)-2-oxopyran-3-yl]-5-methyl-1-(4-methyl-3-oxopentyl)-6-oxabicyclo[3.2.2]nonan-2-one" ], "molecular_formula": "C27H32O7", "smiles": "COc1ccc(-c2cc(O)c(C3CC4(CCC(=O)C(C)C)COC3(C)CCC4=O)c(=O)o2)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0155368" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "VOCWMGRIYMFSCC-UHFFFAOYSA-N": { "inchikey": "VOCWMGRIYMFSCC-UHFFFAOYSA-N", "inchikey2D": "VOCWMGRIYMFSCC", "names": [ "methyl 5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,6,8-tetraoxo-hexahydro-4ah-phenanthro[1,2-c]pyran-2-carboxylate" ], "molecular_formula": "C26H34O8", "smiles": "C=C1CC2C3(C)CCC(=O)C(C)(C)C3C(=O)C(O)C2(C)C2C(=O)OC(C)(C(=O)OC)C(=O)C12C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0148014" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "ZKPLXHLJGTUBJR-OAQYLSRUSA-N": { "inchikey": "ZKPLXHLJGTUBJR-OAQYLSRUSA-N", "inchikey2D": "ZKPLXHLJGTUBJR", "names": [ "Terrenolide S", "methyl (2r)-4-ethoxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate" ], "molecular_formula": "C21H20O7", "smiles": "CCOC1=C(c2ccc(O)cc2)[C@](Cc2ccc(O)cc2)(C(=O)OC)OC1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0229197", "npaid": "NPA002166" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "NRANSZCJNFLBET-SGJFDWMWSA-N": { "inchikey": "NRANSZCJNFLBET-SGJFDWMWSA-N", "inchikey2D": "NRANSZCJNFLBET", "names": [ "(4s)-4-hydroxy-4-[(1e)-prop-1-en-1-yl]oxan-2-one" ], "molecular_formula": "C8H12O3", "smiles": "C/C=C/[C@]1(O)CCOC(=O)C1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0147534" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "FVNVSTYAKOHNNS-DAOGOMQSSA-N": { "inchikey": "FVNVSTYAKOHNNS-DAOGOMQSSA-N", "inchikey2D": "FVNVSTYAKOHNNS", "names": [ "methyl (1r,2s,4as,4bs,8as,10s,10as)-10-hydroxy-1-{[(1-methoxy-1-oxopropan-2-yl)oxy]carbonyl}-2,4b,8,8,10a-pentamethyl-3-methylidene-7,9-dioxo-hexahydro-1h-phenanthrene-2-carboxylate" ], "molecular_formula": "C27H38O9", "smiles": "C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3C(=O)[C@@H](O)[C@]2(C)[C@@H](C(=O)OC(C)C(=O)OC)[C@]1(C)C(=O)OC", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0170249" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "OFDJVCBYZMERME-MSOLQXFVSA-N": { "inchikey": "OFDJVCBYZMERME-MSOLQXFVSA-N", "inchikey2D": "OFDJVCBYZMERME", "names": [ "(5r)-3-hydroxy-5-{[(3s)-3-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]methyl}-4-(4-hydroxyphenyl)-5h-furan-2-one", "Not named" ], "molecular_formula": "C22H22O6", "smiles": "CC1(C)Oc2ccc(C[C@H]3OC(=O)C(O)=C3c3ccc(O)cc3)cc2C[C@@H]1O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0232328", "npaid": "NPA009228" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "DXZREYMSIRCHNS-UHFFFAOYSA-N": { "inchikey": "DXZREYMSIRCHNS-UHFFFAOYSA-N", "inchikey2D": "DXZREYMSIRCHNS", "names": [ "n-(2-{[2,3,4-trimethoxy-6-(methoxycarbonyl)phenyl]-c-hydroxycarbonimidoyl}phenyl)pyridine-3-carboximidic acid" ], "molecular_formula": "C24H23N3O7", "smiles": "COC(=O)c1cc(OC)c(OC)c(OC)c1N=C(O)c1ccccc1N=C(O)c1cccnc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0165632" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "PEFUSUFKYABUBE-AUSIDOKSSA-N": { "inchikey": "PEFUSUFKYABUBE-AUSIDOKSSA-N", "inchikey2D": "PEFUSUFKYABUBE", "names": [ "methyl (2r)-2-({3-[(1r)-1,2-dihydroxy-2-methylpropyl]-4-hydroxyphenyl}methyl)-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate" ], "molecular_formula": "C23H24O9", "smiles": "COC(=O)[C@]1(Cc2ccc(O)c([C@@H](O)C(C)(C)O)c2)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0077978" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "LJAOHLFTVVVALG-UHFFFAOYSA-N": { "inchikey": "LJAOHLFTVVVALG-UHFFFAOYSA-N", "inchikey2D": "LJAOHLFTVVVALG", "names": [ "2-hydroxy-4-methoxy-3-methyl-2h,3h,3ah,7ah-furo[2,3-b]pyran-6-one" ], "molecular_formula": "C9H12O5", "smiles": 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"6-[8-(3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl)-7-methylocta-1,3,5,7-tetraen-1-yl]-4-methoxy-3-methylpyran-2-one" ], "molecular_formula": "C23H30O6", "smiles": "COc1cc(C=CC=CC=CC(C)=CC2(C)OC(C)C(C)(O)C2O)oc(=O)c1C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0249105" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "GVJWSIBVKQDNPN-GQNBQQLRSA-N": { "inchikey": "GVJWSIBVKQDNPN-GQNBQQLRSA-N", "inchikey2D": "GVJWSIBVKQDNPN", "names": [ "methyl (2s,4ar,4bs,5s,6r,6as,10as,10bs,12as)-5,6-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-octahydrophenanthro[1,2-c]pyran-2-carboxylate" ], "molecular_formula": "C26H36O8", "smiles": "C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3[C@@H](O)[C@@H](O)[C@]2(C)[C@H]2C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]12C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0183492" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "DKIGWCWTSWEVBG-UHFFFAOYSA-N": { "inchikey": "DKIGWCWTSWEVBG-UHFFFAOYSA-N", "inchikey2D": "DKIGWCWTSWEVBG", "names": [ "5-(1h-indol-3-yl)-3,4,6-trimethoxy-8-oxa-10-azatetracyclo[7.7.0.0²,⁷.0¹¹,¹⁶]hexadeca-2(7),3,5,11,13,15-hexaen-1-ol" ], "molecular_formula": "C25H22N2O5", "smiles": "COc1c(OC)c2c(c(OC)c1-c1c[nH]c3ccccc13)OC1Nc3ccccc3C21O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0252497" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "QRQVCSIFYBTLJW-UHFFFAOYSA-N": { "inchikey": "QRQVCSIFYBTLJW-UHFFFAOYSA-N", "inchikey2D": "QRQVCSIFYBTLJW", "names": [ "(5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxofuran-3-yl)oxidanesulfonic acid" ], "molecular_formula": "C24H24O10S", "smiles": "COC(=O)C1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(OS(=O)(=O)O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0117605" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "AOFMVUCAUSHJLI-RKFAPSRVSA-N": { "inchikey": "AOFMVUCAUSHJLI-RKFAPSRVSA-N", "inchikey2D": "AOFMVUCAUSHJLI", "names": [ "terreulactone a" ], "molecular_formula": "C28H30O9", "smiles": "COc1ccc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@](C)(CC[C@]45OC(=O)[C@](OC)(C(=O)[C@@]42C)C5(C)C)O3)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0244540" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "PSCBKXCZUOOZDC-VCUSLETLSA-N": { "inchikey": "PSCBKXCZUOOZDC-VCUSLETLSA-N", "inchikey2D": "PSCBKXCZUOOZDC", "names": [ "methyl (2r)-4-hydroxy-2-[(3-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methyl]-5-oxo-3-phenylfuran-2-carboxylate" ], "molecular_formula": "C24H24O7", "smiles": "COC(=O)[C@]1(Cc2ccc3c(c2)CC(O)C(C)(C)O3)OC(=O)C(O)=C1c1ccccc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0187151" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "FSLKVNVJNQCPCQ-YEGATAKMSA-N": { "inchikey": "FSLKVNVJNQCPCQ-YEGATAKMSA-N", "inchikey2D": "FSLKVNVJNQCPCQ", "names": [ "methyl (4s,4'as,4'bs,5s,7's,8'r,8'as,9's,10'as)-9'-hydroxy-7'-[(2s)-2-hydroxy-3-methoxy-2-methyl-3-oxopropanoyl]-1',1',4,4'a,5,7',8'a-heptamethyl-6'-methylidene-10'-oxo-hexahydro-3'h-spiro[1,3-dioxolane-2,2'-phenanthrene]-8'-carboxylate" ], "molecular_formula": "C31H46O10", "smiles": "C=C1C[C@H]2[C@]3(C)CCC4(O[C@@H](C)[C@H](C)O4)C(C)(C)[C@H]3C(=O)[C@@H](O)[C@]2(C)[C@@H](C(=O)OC)[C@]1(C)C(=O)[C@](C)(O)C(=O)OC", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0134928" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "YONHOSLUBQJXPR-NFAWXSAZSA-N": { "inchikey": "YONHOSLUBQJXPR-NFAWXSAZSA-N", "inchikey2D": "YONHOSLUBQJXPR", "names": [ "(-)-aristolochene" ], "molecular_formula": "C15H24", "smiles": "C=C(C)[C@@H]1CC=C2CCC[C@@H](C)[C@]2(C)C1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0178209" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "WRHGORWNJGOVQY-KKUMJFAQSA-N": { "inchikey": "WRHGORWNJGOVQY-KKUMJFAQSA-N", "inchikey2D": "WRHGORWNJGOVQY", "names": [ "(+)-gamma-cadinene", "γ-Cadinene" ], "molecular_formula": "C15H24", "smiles": "C=C1CC[C@@H](C(C)C)[C@@H]2C=C(C)CC[C@@H]12", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0103949", "npaid": "NPA019722" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "GZDJZRPINSSYKN-VYUIOLGVSA-N": { "inchikey": "GZDJZRPINSSYKN-VYUIOLGVSA-N", "inchikey2D": "GZDJZRPINSSYKN", "names": [ "(3r,3as,6s)-6-hydroxy-7-(2-hydroxypropan-2-yl)-3,5,5-trimethyl-3,3a,4,6-tetrahydro-2h-inden-1-one" ], "molecular_formula": "C15H24O3", "smiles": "C[C@@H]1CC(=O)C2=C(C(C)(C)O)[C@@H](O)C(C)(C)C[C@H]21", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0173629" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "NLUPEKNVASDPQD-PXZJAGLMSA-N": { "inchikey": "NLUPEKNVASDPQD-PXZJAGLMSA-N", "inchikey2D": "NLUPEKNVASDPQD", "names": [ "methyl (2's,4s,4'ar,4'bs,5s,5's,6'as,10'as,10'bs,12'as)-5'-hydroxy-2',4,4'b,5,7',7',10'a,12'a-octamethyl-12'-methylidene-1',4',6'-trioxo-hexahydro-4'ah-spiro[1,3-dioxolane-2,8'-phenanthro[1,2-c]pyran]-2'-carboxylate" ], "molecular_formula": "C30H42O9", "smiles": "C=C1C[C@H]2[C@]3(C)CCC4(O[C@@H](C)[C@H](C)O4)C(C)(C)[C@H]3C(=O)[C@@H](O)[C@]2(C)[C@H]2C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]12C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0258660" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "CDDSBAXLZOLDTA-IMSYWVGJSA-N": { "inchikey": "CDDSBAXLZOLDTA-IMSYWVGJSA-N", "inchikey2D": "CDDSBAXLZOLDTA", "names": [ "(3s,6s)-3,6-bis[(2r)-butan-2-yl]-1,4-dihydroxypiperazine-2,5-dione" ], "molecular_formula": "C12H22N2O4", "smiles": "CC[C@@H](C)[C@H]1C(=O)N(O)[C@@H]([C@H](C)CC)C(=O)N1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0258489" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "XRDDKPLRULFDQK-YAOOYPAMSA-N": { "inchikey": "XRDDKPLRULFDQK-YAOOYPAMSA-N", "inchikey2D": "XRDDKPLRULFDQK", "names": [ "(5ar,7as,11as,11bs)-7a,11b-dihydroxy-3-(4-methoxyphenyl)-5a,8,8,11a-tetramethyl-7,12-dihydro-6h-2,5-dioxatetraphene-1,9-dione", "Terreulactone B" ], "molecular_formula": "C27H30O7", "smiles": "COc1ccc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)C=CC(=O)C(C)(C)[C@]4(O)CC[C@@]2(C)O3)cc1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0189508", "npaid": "NPA012918" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "OWIJLQLPOIFVQO-ZCFIWIBFSA-N": { "inchikey": "OWIJLQLPOIFVQO-ZCFIWIBFSA-N", "inchikey2D": "OWIJLQLPOIFVQO", "names": [ "(3s)-3-hydroxy-5,7-dimethoxy-2,3-dihydro-1-benzofuran-6-carboxylic acid" ], "molecular_formula": "C11H12O6", "smiles": "COc1cc2c(c(OC)c1C(=O)O)OC[C@H]2O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0175685" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "UQZCXQAHQVWOAC-UHFFFAOYSA-N": { "inchikey": "UQZCXQAHQVWOAC-UHFFFAOYSA-N", "inchikey2D": "UQZCXQAHQVWOAC", "names": [ "5-[(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methylidene]-4-(4-hydroxyphenyl)furan-2-one" ], "molecular_formula": "C22H20O4", "smiles": "CC1(C)CCc2cc(C=C3OC(=O)C=C3c3ccc(O)cc3)ccc2O1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0247722" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "HPPVVFOROQZDCU-GOSISDBHSA-N": { "inchikey": "HPPVVFOROQZDCU-GOSISDBHSA-N", "inchikey2D": "HPPVVFOROQZDCU", "names": [ "(5r)-5-[(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methyl]-3-hydroxy-4-(4-hydroxyphenyl)-5h-furan-2-one" ], "molecular_formula": "C22H22O5", "smiles": "CC1(C)CCc2cc(C[C@H]3OC(=O)C(O)=C3c3ccc(O)cc3)ccc2O1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0262077" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "LGJVYTQKCOXZFU-VURDHHOUSA-N": { "inchikey": "LGJVYTQKCOXZFU-VURDHHOUSA-N", "inchikey2D": "LGJVYTQKCOXZFU", "names": [ "(2e)-3-methoxy-3-[(3r,4r,5r)-5-methoxy-4,5-dimethyloxolan-3-yl]prop-2-enoic acid" ], "molecular_formula": "C11H18O5", "smiles": "CO/C(=C/C(=O)O)[C@H]1CO[C@@](C)(OC)[C@@H]1C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0254807" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "ROKYRSDVVZPKIE-JOCHJYFZSA-N": { "inchikey": "ROKYRSDVVZPKIE-JOCHJYFZSA-N", "inchikey2D": "ROKYRSDVVZPKIE", "names": [ "(5r)-4-[(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methyl]-3-(4-hydroxyphenyl)-5-methoxy-5h-furan-2-one", "(R)-4-((2,2-dimethylchroman-6-yl)methyl)-3-(4-hydroxyphenyl)- 5-methoxyfuran-2(5H)-one" ], "molecular_formula": "C23H24O5", "smiles": "CO[C@@H]1OC(=O)C(c2ccc(O)cc2)=C1Cc1ccc2c(c1)CCC(C)(C)O2", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0117746", "npaid": "NPA022949" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "QKFPWZKTZYTQIO-UHSICZIDSA-N": { "inchikey": "QKFPWZKTZYTQIO-UHSICZIDSA-N", "inchikey2D": "QKFPWZKTZYTQIO", "names": [ "(5e)-3-(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-4-hydroxy-5-{[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2-one", "(R,E)-3-(2,2-dimethylchroman-6-yl)-4-hydroxy-5-((2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-yl)methylene)furan-2(5H)-one" ], "molecular_formula": "C27H28O6", "smiles": "CC1(C)CCc2cc(C3=C(O)/C(=C\\c4ccc5c(c4)C[C@H](C(C)(C)O)O5)OC3=O)ccc2O1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0255439", "npaid": "NPA022948" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "OBNDPIBCOKHZNH-UHFFFAOYSA-N": { "inchikey": "OBNDPIBCOKHZNH-UHFFFAOYSA-N", "inchikey2D": "OBNDPIBCOKHZNH", "names": [ "25-(2-methylbut-3-en-2-yl)-2,15-dioxo-3,5,16,18-tetraazaheptacyclo[14.10.0.0³,¹⁴.0⁴,¹².0⁶,¹¹.0¹⁷,²⁵.0¹⁹,²⁴]hexacosa-6,8,10,19,21,23-hexaen-12-yl acetate" ], "molecular_formula": "C29H30N4O4", "smiles": "C=CC(C)(C)C12CC3C(=O)N4C(CC5(OC(C)=O)c6ccccc6NC45)C(=O)N3C1Nc1ccccc12", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0177190" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "INMINHZDFXCZEL-ONGXEEELSA-N": { "inchikey": "INMINHZDFXCZEL-ONGXEEELSA-N", "inchikey2D": "INMINHZDFXCZEL", "names": [ "(1s,7as)-4-(2-hydroxypropan-2-yl)-1,6,6-trimethyl-7,7a-dihydro-1h-inden-2-one" ], "molecular_formula": "C15H22O2", "smiles": "C[C@@H]1C(=O)C=C2C(C(C)(C)O)=CC(C)(C)C[C@H]21", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0256258" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "MSIKUCWYBHJVCH-CYBMUJFWSA-N": { "inchikey": "MSIKUCWYBHJVCH-CYBMUJFWSA-N", "inchikey2D": "MSIKUCWYBHJVCH", "names": [ "(3r)-6,8-dihydroxy-7-methyl-1h-spiro[2-benzopyran-3,2'-oxolan]-4-one" ], "molecular_formula": "C13H14O5", "smiles": "Cc1c(O)cc2c(c1O)CO[C@]1(CCCO1)C2=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0195648" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "DFQGNWLQBKGFOD-UHFFFAOYSA-N": { "inchikey": "DFQGNWLQBKGFOD-UHFFFAOYSA-N", "inchikey2D": "DFQGNWLQBKGFOD", "names": [ "2-(hydroxymethyl)-11,11-dimethyl-3-oxotricyclo[4.3.2.0¹,⁵]undecane-9-carboxylic acid" ], "molecular_formula": "C15H22O4", "smiles": "CC1(C)CC23C(C(=O)O)CCC1C2CC(=O)C3CO", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0252207" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "KMHWTYMNRHJTQG-UHFFFAOYSA-N": { "inchikey": "KMHWTYMNRHJTQG-UHFFFAOYSA-N", "inchikey2D": "KMHWTYMNRHJTQG", "names": [ "Asterriquinone", "asterriquinone" ], "molecular_formula": "C32H30N2O4", "smiles": "C=CC(C)(C)n1cc(C2=C(O)C(=O)C(c3cn(C(C)(C)C=C)c4ccccc34)=C(O)C2=O)c2ccccc21", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0259027", "npaid": "NPA012498" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "BGPYFGNVTNOLOI-WWMIFYRDSA-N": { "inchikey": "BGPYFGNVTNOLOI-WWMIFYRDSA-N", "inchikey2D": "BGPYFGNVTNOLOI", "names": [ "methyl (2s)-2-hydroxy-3-[(1s,2s,7s,9r,12s,13s,16s)-9-hydroxy-2,6,6,13,16-pentamethyl-14-methylidene-5,8,11-trioxo-10-oxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadecan-13-yl]-2-methyl-3-oxopropanoate" ], "molecular_formula": "C26H34O9", "smiles": "C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3C(=O)[C@]3(O)OC(=O)[C@H]([C@]1(C)C(=O)[C@](C)(O)C(=O)OC)[C@]23C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0050829" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "UQYFJJRVYCPYQI-UHFFFAOYSA-N": { "inchikey": "UQYFJJRVYCPYQI-UHFFFAOYSA-N", "inchikey2D": "UQYFJJRVYCPYQI", "names": [ "2-{[(4-acetyl-3-methyloxolan-2-yl)oxy]methyl}-3-methylcyclopent-2-en-1-one" ], "molecular_formula": "C14H20O4", "smiles": "CC(=O)C1COC(OCC2=C(C)CCC2=O)C1C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0274959" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "AHMYWLVSCSDIAQ-WDQVFQSZSA-N": { "inchikey": "AHMYWLVSCSDIAQ-WDQVFQSZSA-N", "inchikey2D": "AHMYWLVSCSDIAQ", "names": [ "(1s,7s,8s,9s,12s,16r)-8-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadec-2-ene-4,11-dione", "Botryosphaerin F" ], "molecular_formula": "C16H20O5", "smiles": "C[C@@]12CCC[C@]3(C)C4=CC(=O)OC[C@H]4[C@H](O)[C@@H](OC1=O)[C@@H]23", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0248075", "npaid": "NPA019241" }, 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"GREY:Aspergillus terreus" ] }, "MNIWVYZRLOFLBX-PYKARKRHSA-N": { "inchikey": "MNIWVYZRLOFLBX-PYKARKRHSA-N", "inchikey2D": "MNIWVYZRLOFLBX", "names": [ "(1r,4r,5r,12r,15s,16r)-16-(acetyloxy)-1,12-bis(methylsulfanyl)-2,13-dioxo-8,19-dioxa-3,14-diazapentacyclo[12.8.0.0³,¹².0⁴,¹⁰.0¹⁵,²¹]docosa-6,9,17,20-tetraen-5-yl acetate" ], "molecular_formula": "C24H26N2O8S2", "smiles": "CS[C@@]12CC3=COC=C[C@@H](OC(C)=O)[C@H]3N1C(=O)[C@]1(SC)CC3=COC=C[C@@H](OC(C)=O)[C@@H]3N1C2=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0181174" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "JCBGMXDVXDFMAS-UHFFFAOYSA-N": { "inchikey": "JCBGMXDVXDFMAS-UHFFFAOYSA-N", "inchikey2D": "JCBGMXDVXDFMAS", "names": [ "3-(6-hydroxy-2,6-dimethyl-2,4a,5,7,8,8a-hexahydro-1h-naphthalen-1-yl)propanoic acid" ], "molecular_formula": "C15H24O3", "smiles": "CC1C=CC2CC(C)(O)CCC2C1CCC(=O)O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0055502" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "GVJWSIBVKQDNPN-ITBXVHDFSA-N": { "inchikey": "GVJWSIBVKQDNPN-ITBXVHDFSA-N", "inchikey2D": "GVJWSIBVKQDNPN", "names": [ "methyl (2s,4as,4bs,5s,6r,6as,10as,10bs,12as)-5,6-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-octahydrophenanthro[1,2-c]pyran-2-carboxylate" ], "molecular_formula": "C26H36O8", "smiles": "C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3[C@@H](O)[C@@H](O)[C@]2(C)[C@@H]2C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]12C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0275900" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "KFMTUTLQSGURRM-MARNYXESSA-N": { "inchikey": "KFMTUTLQSGURRM-MARNYXESSA-N", "inchikey2D": "KFMTUTLQSGURRM", "names": [ "(5z)-3-(2-{5-acetyl-2-[(3e,5e)-5,7-dimethyl-2-oxonona-3,5-dien-1-yl]-4,5-dihydroxy-3-oxocyclopent-1-en-1-yl}-4,5-dihydroxyphenyl)-5-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxyfuran-2-one", "Kodaistatin C" ], "molecular_formula": "C35H34O12", "smiles": "CCC(C)/C=C(C)/C=C/C(=O)CC1=C(c2cc(O)c(O)cc2C2=C(O)/C(=C/c3ccc(O)c(O)c3)OC2=O)C(O)(C(C)=O)C(O)C1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0072727", "npaid": "NPA007177" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "HFCODQQUOYPYRJ-UHFFFAOYSA-N": { "inchikey": "HFCODQQUOYPYRJ-UHFFFAOYSA-N", "inchikey2D": "HFCODQQUOYPYRJ", "names": [ "Terremide B", "methyl 3-hydroxy-2-[4-oxo-2-(pyridin-3-yl)quinazolin-3-yl]benzoate" ], "molecular_formula": "C21H15N3O4", "smiles": "COC(=O)c1cccc(O)c1-n1c(-c2cccnc2)nc2ccccc2c1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0270637", "npaid": "NPA003902" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "IPNFIJZLKRHDGH-YXMPFFBPSA-N": { "inchikey": "IPNFIJZLKRHDGH-YXMPFFBPSA-N", "inchikey2D": "IPNFIJZLKRHDGH", "names": [ "(1r,5s,6s,9s)-9-(hydroxymethyl)-11,11-dimethyl-2-methylidenetricyclo[4.3.2.0¹,⁵]undecan-3-one" ], "molecular_formula": "C15H22O2", "smiles": "C=C1C(=O)C[C@H]2[C@@H]3CC[C@H](CO)[C@]12CC3(C)C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0074770" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "ZSKXGGRFBGTYFO-UHFFFAOYSA-N": { "inchikey": "ZSKXGGRFBGTYFO-UHFFFAOYSA-N", "inchikey2D": "ZSKXGGRFBGTYFO", "names": [ "2-(methoxymethyl)-11,11-dimethyl-3-oxotricyclo[4.3.2.0¹,⁵]undecane-9-carboxylic acid" ], "molecular_formula": "C16H24O4", "smiles": "COCC1C(=O)CC2C3CCC(C(=O)O)C12CC3(C)C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0062644" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "XTJDISKSRDVMGY-UHFFFAOYSA-N": { "inchikey": "XTJDISKSRDVMGY-UHFFFAOYSA-N", "inchikey2D": "XTJDISKSRDVMGY", "names": [ "2-(1h-indol-3-yl)-3,6-dimethoxy-5-[1-(2-methylbut-3-en-2-yl)indol-3-yl]cyclohexa-2,5-diene-1,4-dione" ], "molecular_formula": "C29H26N2O4", "smiles": "C=CC(C)(C)n1cc(C2=C(OC)C(=O)C(c3c[nH]c4ccccc34)=C(OC)C2=O)c2ccccc21", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0271262" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "DEIJYXBBTBAMIX-WRUUNCBUSA-N": { "inchikey": "DEIJYXBBTBAMIX-WRUUNCBUSA-N", "inchikey2D": "DEIJYXBBTBAMIX", "names": [ "(2s,4ar,4bs,6as,8s,10ar,10bs,11s,12as)-11-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4-dioxo-decahydrophenanthro[1,2-c]pyran-8-yl acetate" ], "molecular_formula": "C26H38O6", "smiles": "C=C1[C@@H](O)[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]32C)[C@H]2C(=O)O[C@@H](C)C(=O)[C@]12C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0271452" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "XIWMGCLILBQGSO-WPAPTHEOSA-N": { "inchikey": "XIWMGCLILBQGSO-WPAPTHEOSA-N", "inchikey2D": "XIWMGCLILBQGSO", "names": [ "(7s,10as,11s,13s,13as,14s,16ar)-14-benzyl-11,16-dihydroxy-5,7,13-trimethyl-12-methylidene-3h,7h,8h,10ah,11h,13h,13ah,14h-oxacyclododeca[2,3-d]isoindole-2,6-dione", "10-Phenyl-[12]-cytochalasin Z16" ], "molecular_formula": "C28H33NO5", "smiles": "C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)N=C(O)[C@@]23OC(=O)C/C=C(/C)C(=O)[C@@H](C)C/C=C\\[C@H]3[C@@H]1O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0198990", "npaid": "NPA004642" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "KLBQENYQBDKIGM-HLPFSFFKSA-N": { "inchikey": "KLBQENYQBDKIGM-HLPFSFFKSA-N", "inchikey2D": "KLBQENYQBDKIGM", "names": [ "Asperterpene L", "methyl (1r,2s,4as,4bs,10as)-9-hydroxy-2-[(2s)-2-hydroxy-3-methoxy-2-methyl-3-oxopropanoyl]-2,4b,8,8,10a-pentamethyl-3-methylidene-7,10-dioxo-4,4a,5,6-tetrahydro-1h-phenanthrene-1-carboxylate" ], "molecular_formula": "C27H36O9", "smiles": "C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@]2(C)[C@@H](C(=O)OC)[C@]1(C)C(=O)[C@](C)(O)C(=O)OC", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0102227", "npaid": "NPA022786" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "MOBUBGUDFJFGGR-HHPVDLARSA-N": { "inchikey": "MOBUBGUDFJFGGR-HHPVDLARSA-N", "inchikey2D": "MOBUBGUDFJFGGR", "names": [ "(1r,2r,8s,11r)-8-hydroxy-15-(4-methoxyphenyl)-2,7,7,11-tetramethyl-6,12,16-trioxatetracyclo[9.8.0.0²,⁸.0¹³,¹⁸]nonadeca-13(18),14-diene-5,17-dione", "12a-dehydroxyisoterreulactone A" ], "molecular_formula": "C27H32O7", "smiles": "COc1ccc(-c2cc3c(c(=O)o2)C[C@H]2[C@@](C)(CC[C@@]4(O)C(C)(C)OC(=O)CC[C@]24C)O3)cc1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0220601", "npaid": "NPA002265" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "RSYBHADEANEJMV-UHFFFAOYSA-N": { "inchikey": "RSYBHADEANEJMV-UHFFFAOYSA-N", "inchikey2D": "RSYBHADEANEJMV", "names": [ "14,16-dihydroxy-7-(4-methoxyphenyl)-11,15,15-trimethyl-8,10,17-trioxapentacyclo[14.2.2.0¹,¹⁴.0²,¹¹.0⁴,⁹]icosa-4(9),6-dien-5-one" ], "molecular_formula": "C27H32O7", "smiles": "COc1ccc(-c2cc(=O)c3c(o2)OC2(C)CCC4(O)C5(CCC(O)(OC5)C4(C)C)C2C3)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0215444" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "MJCHJLWNXODVGT-UHFFFAOYSA-N": { "inchikey": "MJCHJLWNXODVGT-UHFFFAOYSA-N", "inchikey2D": "MJCHJLWNXODVGT", "names": [ "methyl 4-hydroxy-2-{[4-hydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]methyl}-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate" ], "molecular_formula": "C24H26O8", "smiles": "COC(=O)C1(Cc2ccc(O)c(CCC(C)(C)O)c2)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0054505" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "WUCRGJAHBCTMHG-UDTKAHAISA-N": { "inchikey": "WUCRGJAHBCTMHG-UDTKAHAISA-N", "inchikey2D": "WUCRGJAHBCTMHG", "names": [ "(1r,2s,5r,8s,11s)-5-(hydroxymethyl)-12,12-dimethyl-6-oxatetracyclo[6.5.0.0¹,⁵.0²,¹¹]tridecane-4,7-dione" ], "molecular_formula": "C15H20O4", "smiles": "CC1(C)C[C@]23[C@@H]4CC[C@H]1[C@@H]2CC(=O)[C@@]3(CO)OC4=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0221027" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "XAOPEJSHYOUMNB-UHFFFAOYSA-N": { "inchikey": "XAOPEJSHYOUMNB-UHFFFAOYSA-N", "inchikey2D": "XAOPEJSHYOUMNB", "names": [ "5-hydroxy-4-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-3-(4-hydroxyphenyl)pyrrol-2-one" ], "molecular_formula": "C22H21NO4", "smiles": "CC(C)=CCc1cc(CC2=C(c3ccc(O)cc3)C(=O)N=C2O)ccc1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0273045" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "AVIRMQMUBGNCKS-GQCTYLIASA-N": { "inchikey": "AVIRMQMUBGNCKS-GQCTYLIASA-N", "inchikey2D": "AVIRMQMUBGNCKS", "names": [ "(8e)-11,13-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxacyclododecine-2,10-dione" ], "molecular_formula": "C16H18O5", "smiles": "CC1CCC/C=C/C(=O)c2c(O)cc(O)cc2CC(=O)O1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0264700" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "AEKPZNDJHWFONI-UHFFFAOYSA-N": { "inchikey": "AEKPZNDJHWFONI-UHFFFAOYSA-N", "inchikey2D": "AEKPZNDJHWFONI", "names": [ "methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate" ], "molecular_formula": "C19H16O7", "smiles": "COC(=O)C1(Cc2ccc(O)cc2)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0071925" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "LYYNFZYGNXMEQX-HZPDHXFCSA-N": { "inchikey": "LYYNFZYGNXMEQX-HZPDHXFCSA-N", "inchikey2D": "LYYNFZYGNXMEQX", "names": [ "2,6-bis[(1r)-1-hydroxy-2-methylpropyl]-1h,5h-pyrrolo[2,3-f]indole-4,8-dione" ], "molecular_formula": "C18H22N2O4", "smiles": "CC(C)[C@@H](O)c1cc2c([nH]1)C(=O)c1cc([C@H](O)C(C)C)[nH]c1C2=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0218708" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "SEETYEZEEVLMJA-LHBJCGSASA-N": { "inchikey": "SEETYEZEEVLMJA-LHBJCGSASA-N", "inchikey2D": "SEETYEZEEVLMJA", "names": [ "(1r,2r,11r)-5,12,12-trimethyl-6-oxatetracyclo[6.5.0.0¹,⁵.0²,¹¹]tridecane-4,7-dione" ], "molecular_formula": "C15H20O3", "smiles": "CC1(C)C[C@]23C4CC[C@@H]1[C@H]2CC(=O)C3(C)OC4=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0210535" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "XLMGTEHJZGGSIZ-UHFFFAOYSA-N": { "inchikey": "XLMGTEHJZGGSIZ-UHFFFAOYSA-N", "inchikey2D": "XLMGTEHJZGGSIZ", "names": [ "7-hydroxy-1,6,6-trimethyl-4-(propan-2-ylidene)-1,5,7,7a-tetrahydroinden-2-one" ], "molecular_formula": "C15H22O2", "smiles": "CC(C)=C1CC(C)(C)C(O)C2C1=CC(=O)C2C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0220359" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "JNYUWTYXFKBOOZ-UHFFFAOYSA-N": { "inchikey": "JNYUWTYXFKBOOZ-UHFFFAOYSA-N", "inchikey2D": "JNYUWTYXFKBOOZ", "names": [ "3,6-dibenzyl-3,6-bis(methylsulfanyl)pyrazine-2,5-diol" ], "molecular_formula": "C20H22N2O2S2", "smiles": "CSC1(Cc2ccccc2)N=C(O)C(Cc2ccccc2)(SC)N=C1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0221783" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "ROKYRSDVVZPKIE-UHFFFAOYSA-N": { "inchikey": "ROKYRSDVVZPKIE-UHFFFAOYSA-N", "inchikey2D": "ROKYRSDVVZPKIE", "names": [ "4-[(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methyl]-3-(4-hydroxyphenyl)-5-methoxy-5h-furan-2-one" ], "molecular_formula": "C23H24O5", "smiles": "COC1OC(=O)C(c2ccc(O)cc2)=C1Cc1ccc2c(c1)CCC(C)(C)O2", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0215001" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "KFMTUTLQSGURRM-UHFFFAOYSA-N": { "inchikey": "KFMTUTLQSGURRM-UHFFFAOYSA-N", "inchikey2D": "KFMTUTLQSGURRM", "names": [ "3-{2-[5-acetyl-2-(5,7-dimethyl-2-oxonona-3,5-dien-1-yl)-4,5-dihydroxy-3-oxocyclopent-1-en-1-yl]-4,5-dihydroxyphenyl}-5-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxyfuran-2-one" ], "molecular_formula": "C35H34O12", "smiles": "CCC(C)C=C(C)C=CC(=O)CC1=C(c2cc(O)c(O)cc2C2=C(O)C(=Cc3ccc(O)c(O)c3)OC2=O)C(O)(C(C)=O)C(O)C1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0083092" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "SRZXYFCAKRTTNY-UHFFFAOYSA-N": { "inchikey": "SRZXYFCAKRTTNY-UHFFFAOYSA-N", "inchikey2D": "SRZXYFCAKRTTNY", "names": [ "methyl 2-(2-hydroxy-3-methoxy-2-methyl-3-oxopropanoyl)-2,4b,8,8,10a-pentamethyl-3-methylidene-7,9-dioxo-hexahydro-1h-phenanthrene-1-carboxylate" ], "molecular_formula": "C27H38O8", "smiles": "C=C1CC2C3(C)CCC(=O)C(C)(C)C3C(=O)CC2(C)C(C(=O)OC)C1(C)C(=O)C(C)(O)C(=O)OC", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0070231" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "IVZGJEFGWCHYLK-UHFFFAOYSA-N": { "inchikey": "IVZGJEFGWCHYLK-UHFFFAOYSA-N", "inchikey2D": "IVZGJEFGWCHYLK", "names": [ "2-[(4-hydroxy-2-methoxy-6-methylphenyl)methyl]-2-(hydroxymethyl)-3-methylcyclopentan-1-one" ], "molecular_formula": "C16H22O4", "smiles": "COc1cc(O)cc(C)c1CC1(CO)C(=O)CCC1C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0191545" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "UJWXDHBTYAGSML-UHFFFAOYSA-N": { "inchikey": "UJWXDHBTYAGSML-UHFFFAOYSA-N", "inchikey2D": "UJWXDHBTYAGSML", "names": [ "3,5-dihydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]furan-2-one" ], "molecular_formula": "C17H14O6", "smiles": "O=C1OC(O)(Cc2ccc(O)cc2)C(c2ccc(O)cc2)=C1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0084677" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "AVRAJKJSCBAZEZ-UHFFFAOYSA-N": { "inchikey": "AVRAJKJSCBAZEZ-UHFFFAOYSA-N", "inchikey2D": "AVRAJKJSCBAZEZ", "names": [ "2,5-dimethoxy-3-[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]-6-[7-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]cyclohexa-2,5-diene-1,4-dione" ], "molecular_formula": "C39H42N2O4", "smiles": "C=CC(C)(C)c1[nH]c2c(CC=C(C)C)cccc2c1C1=C(OC)C(=O)C(c2c[nH]c3c(CC=C(C)C)cccc23)=C(OC)C1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0194499" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "NBSHFMWBYVHWNG-UHFFFAOYSA-N": { "inchikey": "NBSHFMWBYVHWNG-UHFFFAOYSA-N", "inchikey2D": "NBSHFMWBYVHWNG", "names": [ "4-hydroxy-6-(1h-indol-3-yl)-5-(3-methylbut-2-en-1-yl)-3-[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]cyclohexa-3,5-diene-1,2-dione", "Terrequinone A" ], "molecular_formula": "C32H30N2O3", "smiles": "C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(O)C(CC=C(C)C)=C(c2c[nH]c3ccccc23)C(=O)C1=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0072467", "npaid": "NPA005272" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "DFQGNWLQBKGFOD-AIGMQPKJSA-N": { "inchikey": "DFQGNWLQBKGFOD-AIGMQPKJSA-N", "inchikey2D": "DFQGNWLQBKGFOD", "names": [ "(+)-5(6)-dihydro-6-hydroxyterrecyclic acid A", "(1s,2s,5s,6s,9s)-2-(hydroxymethyl)-11,11-dimethyl-3-oxotricyclo[4.3.2.0¹,⁵]undecane-9-carboxylic acid" ], "molecular_formula": "C15H22O4", "smiles": "CC1(C)C[C@]23[C@@H](C(=O)O)CC[C@H]1[C@@H]2CC(=O)[C@@H]3CO", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0219192", "npaid": "NPA011042" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "KDQCNOMWAKRNFL-UHFFFAOYSA-N": { "inchikey": "KDQCNOMWAKRNFL-UHFFFAOYSA-N", "inchikey2D": "KDQCNOMWAKRNFL", "names": [ "4-hydroxy-6-[2-(3-methoxy-2,6-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)ethyl]oxan-2-one" ], "molecular_formula": "C20H32O4", "smiles": "COC1C=C2CC(C)CCC2C(CCC2CC(O)CC(=O)O2)C1C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0083159" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "XMAWYJWBFIGONN-DEOSSOPVSA-N": { "inchikey": "XMAWYJWBFIGONN-DEOSSOPVSA-N", "inchikey2D": "XMAWYJWBFIGONN", "names": [ "methyl (1s)-1,3-bis(1h-indol-3-yl)-4-methoxy-2,5-dioxocyclopent-3-ene-1-carboxylate" ], "molecular_formula": "C24H18N2O5", "smiles": "COC(=O)[C@]1(c2c[nH]c3ccccc23)C(=O)C(OC)=C(c2c[nH]c3ccccc23)C1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0079690" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "XLMGTEHJZGGSIZ-IIMNLJJBSA-N": { "inchikey": "XLMGTEHJZGGSIZ-IIMNLJJBSA-N", "inchikey2D": "XLMGTEHJZGGSIZ", "names": [ "(1s,7s,7as)-7-hydroxy-1,6,6-trimethyl-4-(propan-2-ylidene)-1,5,7,7a-tetrahydroinden-2-one" ], "molecular_formula": "C15H22O2", "smiles": "CC(C)=C1CC(C)(C)[C@@H](O)[C@@H]2C1=CC(=O)[C@H]2C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0227863" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "CFJUIISUVIQUCC-YKJMMZEYSA-N": { "inchikey": "CFJUIISUVIQUCC-YKJMMZEYSA-N", "inchikey2D": "CFJUIISUVIQUCC", "names": [ "(1''r,2''r,8''r,9's,9'as,10''s,11''r,12''s,16''s)-2'',7'',7'',11'',16''-pentamethyl-3',5''-dioxo-1',9'a-dihydrodispiro[cyclopropane-1,2'-imidazo[1,2-a]indole-9',14''-[6,15]dioxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecan]-3''-en-10''-yl acetate", "Teraspiridole B" ], "molecular_formula": "C34H42N2O6", "smiles": "CC(=O)O[C@H]1C[C@H]2C(C)(C)OC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)O[C@@]4(C[C@H]3[C@]12C)c1ccccc1N1C(=O)C2(CC2)N[C@@H]14", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0212873", "npaid": "NPA006579" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "SDUGYQDMSWYSGN-LJQANCHMSA-N": { "inchikey": "SDUGYQDMSWYSGN-LJQANCHMSA-N", "inchikey2D": "SDUGYQDMSWYSGN", "names": [ "(5r)-3-hydroxy-5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5h-furan-2-one" ], "molecular_formula": "C22H22O5", "smiles": 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] }, "IIUYCUAFSQXIAZ-UHFFFAOYSA-N": { "inchikey": "IIUYCUAFSQXIAZ-UHFFFAOYSA-N", "inchikey2D": "IIUYCUAFSQXIAZ", "names": [ "methyl 7,10-dihydroxy-2-(2-hydroxy-3-methoxy-2-methyl-3-oxopropanoyl)-2,4b,8,8,10a-pentamethyl-3-methylidene-9-oxo-octahydrophenanthrene-1-carboxylate" ], "molecular_formula": "C27H40O9", "smiles": "C=C1CC2C3(C)CCC(O)C(C)(C)C3C(=O)C(O)C2(C)C(C(=O)OC)C1(C)C(=O)C(C)(O)C(=O)OC", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0165760" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "AQBNNSWAQPPMPF-UHFFFAOYSA-N": { "inchikey": "AQBNNSWAQPPMPF-UHFFFAOYSA-N", "inchikey2D": "AQBNNSWAQPPMPF", "names": [ "2,8,11-trihydroxy-3-[hydroxy(phenyl)methyl]-4,9-dimethyl-6-(sec-butyl)-6,9-dihydro-3h-1,4,7,10-benzotetrazacyclotridecin-5-one" ], "molecular_formula": "C26H32N4O5", "smiles": "CCC(C)C1N=C(O)C(C)N=C(O)c2ccccc2N=C(O)C(C(O)c2ccccc2)N(C)C1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0166327" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "LBVPDFGFLMFDPI-UHFFFAOYSA-N": { "inchikey": "LBVPDFGFLMFDPI-UHFFFAOYSA-N", "inchikey2D": "LBVPDFGFLMFDPI", "names": [ "11,13-dihydroxy-8-methoxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione" ], "molecular_formula": "C17H22O6", "smiles": "COC1CCCC(C)OC(=O)Cc2cc(O)cc(O)c2C(=O)C1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0215112" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "JLBVVGKVADHTHK-IIBYNOLFSA-N": { "inchikey": "JLBVVGKVADHTHK-IIBYNOLFSA-N", "inchikey2D": "JLBVVGKVADHTHK", "names": [ "(1r,12r)-24-hydroxy-1-methyl-3,13,21,23-tetraazahexacyclo[10.10.2.0²,¹⁰.0⁴,⁹.0¹³,²².0¹⁵,²⁰]tetracosa-2(10),4,6,8,15,17,19,21,23-nonaen-14-one" ], "molecular_formula": "C21H16N4O2", "smiles": "C[C@@]12N=C(O)[C@@H](Cc3c1[nH]c1ccccc31)n1c2nc2ccccc2c1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0180474" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "PKCDWPUCZAGRDO-ADEWGFFLSA-N": { "inchikey": "PKCDWPUCZAGRDO-ADEWGFFLSA-N", "inchikey2D": "PKCDWPUCZAGRDO", "names": [ "(1r,4r,7as)-4-(2-hydroxypropan-2-yl)-1,6,6-trimethyl-4,5,7,7a-tetrahydro-1h-inden-2-one" ], "molecular_formula": "C15H24O2", "smiles": "C[C@H]1C(=O)C=C2[C@H]1CC(C)(C)C[C@H]2C(C)(C)O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0229704" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "IUPFFJUFFWRGKA-SNVBAGLBSA-N": { "inchikey": "IUPFFJUFFWRGKA-SNVBAGLBSA-N", "inchikey2D": "IUPFFJUFFWRGKA", "names": [ "(3r)-8-hydroxy-6-(4-hydroxy-2-methylphenoxy)-3-methyl-3,4-dihydro-2-benzopyran-1-one", "6-(4’-hydroxy-2’-methyl phenoxy)-(-)-(3R)-mellein" ], "molecular_formula": "C17H16O5", "smiles": "Cc1cc(O)ccc1Oc1cc(O)c2c(c1)C[C@@H](C)OC2=O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0238083", "npaid": "NPA007921" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "FEBONIQNDOTKDN-UHFFFAOYSA-N": { "inchikey": "FEBONIQNDOTKDN-UHFFFAOYSA-N", "inchikey2D": "FEBONIQNDOTKDN", "names": [ "5-[(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methylidene]-4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]furan-2-one" ], "molecular_formula": "C27H28O5", "smiles": "CC(C)=CCc1cc(C2=C(O)C(=Cc3ccc4c(c3)CCC(C)(C)O4)OC2=O)ccc1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0064227" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "SMAWCSOVJJHIOI-UHFFFAOYSA-N": { "inchikey": "SMAWCSOVJJHIOI-UHFFFAOYSA-N", "inchikey2D": "SMAWCSOVJJHIOI", "names": [ "11,11-dimethyl-2-methylidene-3-oxotricyclo[4.3.2.0¹,⁵]undecane-9-carboxylic acid" ], "molecular_formula": "C15H20O3", "smiles": "C=C1C(=O)CC2C3CCC(C(=O)O)C12CC3(C)C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0189448" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "GSKYCPXSDLXGEW-VIFPVBQESA-N": { "inchikey": "GSKYCPXSDLXGEW-VIFPVBQESA-N", "inchikey2D": "GSKYCPXSDLXGEW", "names": [ "(1s)-4-methyl-1,3-dihydro-2-benzofuran-1,5,6,7-tetrol" ], "molecular_formula": "C9H10O5", "smiles": "Cc1c(O)c(O)c(O)c2c1CO[C@@H]2O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0189347" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "XYGSNCPRLVTNHL-UHFFFAOYSA-N": { "inchikey": "XYGSNCPRLVTNHL-UHFFFAOYSA-N", "inchikey2D": "XYGSNCPRLVTNHL", "names": [ "methyl 2-[(2,2-dimethylchromen-6-yl)methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate" ], "molecular_formula": "C24H22O7", "smiles": "COC(=O)C1(Cc2ccc3c(c2)C=CC(C)(C)O3)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0025733" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "VDBCMUZSRZGQBK-RUZDIDTESA-N": { "inchikey": "VDBCMUZSRZGQBK-RUZDIDTESA-N", "inchikey2D": "VDBCMUZSRZGQBK", "names": [ "Butyrolactone VII", "ethyl (2r)-4-hydroxy-2-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate" ], "molecular_formula": "C25H26O7", "smiles": "CCOC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0198873", "npaid": "NPA001548" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "NXQQLEPWUXGBAH-LXLMGQFMSA-N": { "inchikey": "NXQQLEPWUXGBAH-LXLMGQFMSA-N", "inchikey2D": "NXQQLEPWUXGBAH", "names": [ "ethyl (1r,2s,4as,4bs,8as,10s,10as)-10-hydroxy-1-{[(1-methoxy-1-oxopropan-2-yl)oxy]carbonyl}-2,4b,8,8,10a-pentamethyl-3-methylidene-7,9-dioxo-hexahydro-1h-phenanthrene-2-carboxylate" ], "molecular_formula": "C28H40O9", "smiles": "C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3C(=O)[C@@H](O)[C@]2(C)[C@@H](C(=O)OC(C)C(=O)OC)[C@]1(C)C(=O)OCC", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0043062" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "WHYIWLWSSUFSOL-HNUINFLBSA-N": { "inchikey": "WHYIWLWSSUFSOL-HNUINFLBSA-N", "inchikey2D": "WHYIWLWSSUFSOL", "names": [ "(1s,2s,4s,5s,9r,10r,12s,13r)-1-hydroxy-13-methoxy-2,12-dimethyl-8-methylidene-7-oxo-3,6,15-trioxatetracyclo[10.2.1.0²,⁴.0⁵,⁹]pentadecan-10-yl 2-methylpropanoate" ], "molecular_formula": "C20H28O8", "smiles": "C=C1C(=O)O[C@@H]2[C@@H]3O[C@]3(C)[C@]3(O)C[C@@H](OC)[C@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0047084" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "BIVNWUMPSCVWLT-UHFFFAOYSA-N": { "inchikey": "BIVNWUMPSCVWLT-UHFFFAOYSA-N", "inchikey2D": "BIVNWUMPSCVWLT", "names": [ "3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-methoxy-5h-furan-2-one" ], "molecular_formula": "C23H24O5", "smiles": "COC1OC(=O)C(Cc2ccc(O)c(CC=C(C)C)c2)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0161586" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "POUFHOLLURKZJJ-KHTMQFLISA-N": { "inchikey": "POUFHOLLURKZJJ-KHTMQFLISA-N", "inchikey2D": "POUFHOLLURKZJJ", "names": [ "(1r,4s,5s,11r,14s,15s)-5-(acetyloxy)-1,11-bis(methylsulfanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.0³,¹¹.0⁴,⁹.0¹⁴,²⁰]henicosa-6,8,16,19-tetraen-15-yl acetate" ], "molecular_formula": "C24H26N2O7S2", "smiles": "CS[C@@]12CC3=CC=C[C@H](OC(C)=O)[C@H]3N1C(=O)[C@]1(SC)CC3=COC=C[C@H](OC(C)=O)[C@H]3N1C2=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0184086" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "PKCDWPUCZAGRDO-DLOVCJGASA-N": { "inchikey": "PKCDWPUCZAGRDO-DLOVCJGASA-N", "inchikey2D": "PKCDWPUCZAGRDO", "names": [ "(1s,4s,7as)-4-(2-hydroxypropan-2-yl)-1,6,6-trimethyl-4,5,7,7a-tetrahydro-1h-inden-2-one" ], "molecular_formula": "C15H24O2", "smiles": "C[C@@H]1C(=O)C=C2[C@H]1CC(C)(C)C[C@@H]2C(C)(C)O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0241447" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "CKIQGFVEMXGQMC-UHFFFAOYSA-N": { "inchikey": "CKIQGFVEMXGQMC-UHFFFAOYSA-N", "inchikey2D": "CKIQGFVEMXGQMC", "names": [ "asperjinone" ], "molecular_formula": "C22H20O6", "smiles": "CC1(C)OC1Cc1cc(CC2=C(c3ccc(O)cc3)C(=O)OC2=O)ccc1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0259011" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "VDBCMUZSRZGQBK-UHFFFAOYSA-N": { "inchikey": "VDBCMUZSRZGQBK-UHFFFAOYSA-N", "inchikey2D": "VDBCMUZSRZGQBK", "names": [ "ethyl 4-hydroxy-2-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate" ], "molecular_formula": "C25H26O7", "smiles": "CCOC(=O)C1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0056533" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "DXVJWCRTDUCRKF-HOYKHHGWSA-N": { "inchikey": "DXVJWCRTDUCRKF-HOYKHHGWSA-N", "inchikey2D": "DXVJWCRTDUCRKF", "names": [ "methyl (2r)-4-hydroxy-3-(4-hydroxyphenyl)-2-{[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]methyl}-5-oxofuran-2-carboxylate" ], "molecular_formula": "C24H24O8", "smiles": "COC(=O)[C@]1(Cc2ccc3c(c2)O[C@@H](C(C)(C)O)C3)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0229048" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "QXXJLFJADXECGI-RUZDIDTESA-N": { "inchikey": "QXXJLFJADXECGI-RUZDIDTESA-N", "inchikey2D": "QXXJLFJADXECGI", "names": [ "Terrephenol B", "methyl (2r)-4-hydroxy-2-{[2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate" ], "molecular_formula": "C25H26O8", "smiles": "COC(=O)[C@]1(Cc2ccc(OC)c(CC=C(C)C)c2O)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0180129", "npaid": "NPA007414" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "BJIMPBHILOPLBT-LLVKDONJSA-N": { "inchikey": "BJIMPBHILOPLBT-LLVKDONJSA-N", "inchikey2D": "BJIMPBHILOPLBT", "names": [ "(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carbaldehyde" ], "molecular_formula": "C12H14O3", "smiles": "CC(C)(O)[C@H]1Cc2cc(C=O)ccc2O1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0188711" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "UNEUBHPEGNVSJI-UHFFFAOYSA-N": { "inchikey": "UNEUBHPEGNVSJI-UHFFFAOYSA-N", "inchikey2D": "UNEUBHPEGNVSJI", "names": [ "1,12-dihydroxy-16-isopropyl-6,10,13-trimethylpentacyclo[9.7.0.0²,⁷.0³,⁷.0¹³,¹⁷]octadecane-2-carboxylic acid" ], "molecular_formula": "C25H40O4", "smiles": "CC(C)C1CCC2(C)C(O)C3C(C)CCC45C(C)CCC4C5(C(=O)O)C3(O)CC12", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0190339" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "OTOPJMIRVXJOPK-UHFFFAOYSA-N": { "inchikey": "OTOPJMIRVXJOPK-UHFFFAOYSA-N", "inchikey2D": "OTOPJMIRVXJOPK", "names": [ "ethyl 5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,6,8-tetraoxo-hexahydro-4ah-phenanthro[1,2-c]pyran-2-carboxylate" ], "molecular_formula": "C27H36O8", "smiles": "C=C1CC2C3(C)CCC(=O)C(C)(C)C3C(=O)C(O)C2(C)C2C(=O)OC(C)(C(=O)OCC)C(=O)C12C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0019083" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "OBNDPIBCOKHZNH-IDGURXKESA-N": { "inchikey": "OBNDPIBCOKHZNH-IDGURXKESA-N", "inchikey2D": "OBNDPIBCOKHZNH", "names": [ "(1s,4s,12r,14s,17s,25r)-25-(2-methylbut-3-en-2-yl)-2,15-dioxo-3,5,16,18-tetraazaheptacyclo[14.10.0.0³,¹⁴.0⁴,¹².0⁶,¹¹.0¹⁷,²⁵.0¹⁹,²⁴]hexacosa-6,8,10,19,21,23-hexaen-12-yl acetate", "Amauromine B" ], "molecular_formula": "C29H30N4O4", "smiles": "C=CC(C)(C)[C@@]12C[C@H]3C(=O)N4[C@@H](C[C@@]5(OC(C)=O)c6ccccc6N[C@@H]45)C(=O)N3[C@@H]1Nc1ccccc12", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0252564", "npaid": "NPA017860" }, 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"molecular_formula": "C12H22N2O4", "smiles": "CCC(C)C1C(=O)N(O)C(C(C)CC)C(=O)N1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0267279" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "KFJVNPYEFKMGFB-NRCAVMDQSA-N": { "inchikey": "KFJVNPYEFKMGFB-NRCAVMDQSA-N", "inchikey2D": "KFJVNPYEFKMGFB", "names": [ "(1r,2r,3r,6s,7s,10s,11s,12r,13s,16r,17s)-12-(acetyloxy)-1-hydroxy-16-isopropyl-6,10,13-trimethylpentacyclo[9.7.0.0²,⁷.0³,⁷.0¹³,¹⁷]octadecane-2-carboxylic acid" ], "molecular_formula": "C27H42O5", "smiles": "CC(=O)O[C@@H]1[C@@H]2[C@@H](C)CC[C@]34[C@@H](C)CC[C@H]3[C@]4(C(=O)O)[C@@]2(O)C[C@H]2[C@@H](C(C)C)CC[C@@]21C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0052645" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "SMAWCSOVJJHIOI-JNIYBQFBSA-N": { "inchikey": "SMAWCSOVJJHIOI-JNIYBQFBSA-N", "inchikey2D": "SMAWCSOVJJHIOI", "names": [ "terrecyclic acid a" ], "molecular_formula": "C15H20O3", "smiles": "C=C1C(=O)C[C@@H]2[C@H]3CC[C@@H](C(=O)O)[C@@]12CC3(C)C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0005249" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "GXKIMXZXFFLVQU-ODLFYWEKSA-N": { "inchikey": "GXKIMXZXFFLVQU-ODLFYWEKSA-N", "inchikey2D": "GXKIMXZXFFLVQU", "names": [ "(5z)-4-hydroxy-5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methylidene}-3-(3-hydroxyphenyl)furan-2-one" ], "molecular_formula": "C22H20O5", "smiles": "CC(C)=CCc1cc(/C=C2\\OC(=O)C(c3cccc(O)c3)=C2O)ccc1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0042901" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "DKIGWCWTSWEVBG-JWQCQUIFSA-N": { "inchikey": 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"VEHGQGLRBNMMDE-UHFFFAOYSA-N": { "inchikey": "VEHGQGLRBNMMDE-UHFFFAOYSA-N", "inchikey2D": "VEHGQGLRBNMMDE", "names": [ "3-[4-(1h-indol-3-yl)-2,3,5,6-tetramethoxyphenyl]-7-(3-methylbut-2-en-1-yl)-1h-indole" ], "molecular_formula": "C31H32N2O4", "smiles": "COc1c(OC)c(-c2c[nH]c3c(CC=C(C)C)cccc23)c(OC)c(OC)c1-c1c[nH]c2ccccc12", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0264276" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "QKXFADNZXOBAQQ-KVFBYCLNSA-N": { "inchikey": "QKXFADNZXOBAQQ-KVFBYCLNSA-N", "inchikey2D": "QKXFADNZXOBAQQ", "names": [ "Asperterpene J", "methyl (1r,2s,4as,4bs,8ar,10s,10as)-10-hydroxy-2-[(2s)-2-hydroxy-3-methoxy-2-methyl-3-oxopropanoyl]-2,4b,8,8,10a-pentamethyl-3-methylidene-7,9-dioxo-hexahydro-1h-phenanthrene-1-carboxylate" ], "molecular_formula": "C27H38O9", "smiles": "C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@@H]3C(=O)[C@@H](O)[C@]2(C)[C@@H](C(=O)OC)[C@]1(C)C(=O)[C@](C)(O)C(=O)OC", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0015131", "npaid": "NPA022784" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "MNIWVYZRLOFLBX-UHFFFAOYSA-N": { "inchikey": "MNIWVYZRLOFLBX-UHFFFAOYSA-N", "inchikey2D": "MNIWVYZRLOFLBX", "names": [ "16-(acetyloxy)-1,12-bis(methylsulfanyl)-2,13-dioxo-8,19-dioxa-3,14-diazapentacyclo[12.8.0.0³,¹².0⁴,¹⁰.0¹⁵,²¹]docosa-6,9,17,20-tetraen-5-yl acetate" ], "molecular_formula": "C24H26N2O8S2", "smiles": "CSC12CC3=COC=CC(OC(C)=O)C3N1C(=O)C1(SC)CC3=COC=CC(OC(C)=O)C3N1C2=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0000328" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "BNNQNJBXFAFMOE-DNQXCXABSA-N": { "inchikey": "BNNQNJBXFAFMOE-DNQXCXABSA-N", "inchikey2D": "BNNQNJBXFAFMOE", "names": [ "(1r,9r)-5-(1h-indol-3-yl)-3,6-dimethoxy-8-oxa-10-azatetracyclo[7.7.0.0²,⁷.0¹¹,¹⁶]hexadeca-2,4,6,11,13,15-hexaene-1,4-diol" ], "molecular_formula": "C24H20N2O5", "smiles": "COc1c2c(c(OC)c(O)c1-c1c[nH]c3ccccc13)[C@]1(O)c3ccccc3N[C@@H]1O2", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0021846" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "TUPLQPTWXCZPJD-UHFFFAOYSA-N": { "inchikey": "TUPLQPTWXCZPJD-UHFFFAOYSA-N", "inchikey2D": "TUPLQPTWXCZPJD", "names": [ "2,5-dihydroxy-3-[2-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]-6-[1-(2-methylbut-3-en-2-yl)indol-3-yl]cyclohexa-2,5-diene-1,4-dione" ], "molecular_formula": "C32H30N2O4", "smiles": "C=CC(C)(C)n1cc(C2=C(O)C(=O)C(c3c(CC=C(C)C)[nH]c4ccccc34)=C(O)C2=O)c2ccccc21", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0052206" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "HGILROHNRVPEBC-UHFFFAOYSA-N": { "inchikey": "HGILROHNRVPEBC-UHFFFAOYSA-N", "inchikey2D": "HGILROHNRVPEBC", "names": [ "Terremide A", "n-(2-{[2-hydroxy-6-(methoxycarbonyl)phenyl]-c-hydroxycarbonimidoyl}phenyl)pyridine-3-carboximidic acid" ], "molecular_formula": "C21H17N3O5", "smiles": "COC(=O)c1cccc(O)c1N=C(O)c1ccccc1N=C(O)c1cccnc1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0053591", "npaid": "NPA010443" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "AEKPZNDJHWFONI-IBGZPJMESA-N": { "inchikey": "AEKPZNDJHWFONI-IBGZPJMESA-N", "inchikey2D": "AEKPZNDJHWFONI", "names": [ "methyl (2s)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate" ], "molecular_formula": "C19H16O7", "smiles": "COC(=O)[C@@]1(Cc2ccc(O)cc2)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0013490" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "CTKLVKWVJNHUGO-PQXKERBESA-N": { "inchikey": "CTKLVKWVJNHUGO-PQXKERBESA-N", "inchikey2D": "CTKLVKWVJNHUGO", "names": [ "(1r,4r,5r,6r,8r)-4-hydroxy-2-(hydroxymethyl)-8-methyl-9-oxo-11-oxatricyclo[6.2.1.0¹,⁵]undec-2-en-6-yl (2e)-2-methylbut-2-enoate" ], "molecular_formula": "C17H22O6", "smiles": "C/C=C(\\C)C(=O)O[C@@H]1C[C@@]2(C)O[C@@]3(CC2=O)C(CO)=C[C@@H](O)[C@H]13", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0001509" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "ZTGDSDBTYUOLEK-ODLFYWEKSA-N": { "inchikey": "ZTGDSDBTYUOLEK-ODLFYWEKSA-N", "inchikey2D": "ZTGDSDBTYUOLEK", "names": [ "(5z)-4-hydroxy-3-[3-hydroxy-4-(3-methylbut-2-en-1-yl)phenyl]-5-[(4-hydroxyphenyl)methylidene]furan-2-one" ], "molecular_formula": "C22H20O5", "smiles": "CC(C)=CCc1ccc(C2=C(O)/C(=C/c3ccc(O)cc3)OC2=O)cc1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0012412" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "XLEVGQVQFXMEHD-UHFFFAOYSA-N": { "inchikey": "XLEVGQVQFXMEHD-UHFFFAOYSA-N", "inchikey2D": "XLEVGQVQFXMEHD", "names": [ "3-(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-4-hydroxy-5-[(7-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methylidene]furan-2-one" ], "molecular_formula": "C27H28O6", "smiles": "CC1(C)CCc2cc(C3=C(O)C(=Cc4cc5c(cc4O)OC(C)(C)CC5)OC3=O)ccc2O1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0010651" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "NVAIFFOQCAKMAH-HOYKHHGWSA-N": { "inchikey": "NVAIFFOQCAKMAH-HOYKHHGWSA-N", "inchikey2D": "NVAIFFOQCAKMAH", "names": [ "Butylrolactone IV", "methyl (2r)-4-hydroxy-3-(4-hydroxyphenyl)-2-{[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methyl}-5-oxofuran-2-carboxylate" ], "molecular_formula": "C24H24O8", "smiles": "COC(=O)[C@]1(Cc2ccc3c(c2)C[C@H](C(C)(C)O)O3)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0003248", "npaid": "NPA004486" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "VRDPIJDRSGUDPU-UHFFFAOYSA-N": { "inchikey": "VRDPIJDRSGUDPU-UHFFFAOYSA-N", "inchikey2D": "VRDPIJDRSGUDPU", "names": [ "1,4-dihydroxy-3,6-diisopropylpiperazine-2,5-dione" ], "molecular_formula": "C10H18N2O4", "smiles": "CC(C)C1C(=O)N(O)C(C(C)C)C(=O)N1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0014705" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "KOVVXCSCJUNDCI-UHFFFAOYSA-N": { "inchikey": "KOVVXCSCJUNDCI-UHFFFAOYSA-N", "inchikey2D": "KOVVXCSCJUNDCI", "names": [ "2,5-dimethoxy-3-[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]-6-[1-(2-methylbut-3-en-2-yl)indol-3-yl]cyclohexa-2,5-diene-1,4-dione" ], "molecular_formula": "C34H34N2O4", "smiles": "C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(OC)C(=O)C(c2cn(C(C)(C)C=C)c3ccccc23)=C(OC)C1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0021366" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "IPNFIJZLKRHDGH-YFCNSXCBSA-N": { "inchikey": "IPNFIJZLKRHDGH-YFCNSXCBSA-N", "inchikey2D": "IPNFIJZLKRHDGH", "names": [ "(1r,5r,6r,9r)-9-(hydroxymethyl)-11,11-dimethyl-2-methylidenetricyclo[4.3.2.0¹,⁵]undecan-3-one" ], "molecular_formula": "C15H22O2", "smiles": "C=C1C(=O)C[C@@H]2[C@H]3CC[C@@H](CO)[C@]12CC3(C)C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0007364" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "PCZOHLXUXFIOCF-BXMDZJJMSA-N": { "inchikey": "PCZOHLXUXFIOCF-BXMDZJJMSA-N", "inchikey2D": "PCZOHLXUXFIOCF", "names": [ "lovastatin" ], "molecular_formula": "C24H36O5", "smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", "species": [ "[query-hint] Aspergillus terreus", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0240572" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus", "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus ostreatus==Pleurotus" ] }, "NIRMZWVJIJSJIF-UHFFFAOYSA-N": { "inchikey": "NIRMZWVJIJSJIF-UHFFFAOYSA-N", "inchikey2D": "NIRMZWVJIJSJIF", "names": [ "3-hydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]-5-methoxyfuran-2-one", "Not named" ], "molecular_formula": "C18H16O6", "smiles": "COC1(Cc2ccc(O)cc2)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0023490", "npaid": "NPA018825" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "PBXNNDFKPQPJBB-VJLHXPKFSA-N": { "inchikey": "PBXNNDFKPQPJBB-VJLHXPKFSA-N", "inchikey2D": "PBXNNDFKPQPJBB", "names": [ "territrem b" ], "molecular_formula": "C29H34O9", "smiles": "COc1cc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)C(=O)C=CC(C)(C)[C@]4(O)CC[C@@]2(C)O3)cc(OC)c1OC", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0009332" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "BSUMMOUMVQVPGZ-VSFXBCNKSA-N": { "inchikey": "BSUMMOUMVQVPGZ-VSFXBCNKSA-N", "inchikey2D": "BSUMMOUMVQVPGZ", "names": [ "(2r,4ar,4bs,10as,10bs,12ar)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-2h,4ah,9h,10h,11h-phenanthro[1,2-c]pyran-1,4,5,8-tetrone", "Terretonin C" ], "molecular_formula": "C24H30O7", "smiles": "C=C1C[C@]2(O)[C@@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@@]2(C)[C@@H]2C(=O)O[C@H](C)C(=O)[C@@]12C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0078600", "npaid": "NPA009559" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "PKCDWPUCZAGRDO-ZMLRMANQSA-N": { "inchikey": "PKCDWPUCZAGRDO-ZMLRMANQSA-N", "inchikey2D": "PKCDWPUCZAGRDO", "names": [ "(1s,4r,7as)-4-(2-hydroxypropan-2-yl)-1,6,6-trimethyl-4,5,7,7a-tetrahydro-1h-inden-2-one" ], "molecular_formula": "C15H24O2", "smiles": "C[C@@H]1C(=O)C=C2[C@H]1CC(C)(C)C[C@H]2C(C)(C)O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0113035" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "YISITKUQTVIEQF-HMAPJEAMSA-N": { "inchikey": "YISITKUQTVIEQF-HMAPJEAMSA-N", "inchikey2D": "YISITKUQTVIEQF", "names": [ "(5z)-3-(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-5-[(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methylidene]-4-hydroxyfuran-2-one" ], "molecular_formula": "C27H28O5", "smiles": "CC1(C)CCc2cc(/C=C3\\OC(=O)C(c4ccc5c(c4)CCC(C)(C)O5)=C3O)ccc2O1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0078630" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "FSNAHOOBWDWUNP-XRKRLSELSA-N": { "inchikey": "FSNAHOOBWDWUNP-XRKRLSELSA-N", "inchikey2D": "FSNAHOOBWDWUNP", "names": [ "(1r,9r)-3,6-dimethoxy-5-[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]-8-oxa-10-azatetracyclo[7.7.0.0²,⁷.0¹¹,¹⁶]hexadeca-2,4,6,11,13,15-hexaene-1,4-diol" ], "molecular_formula": "C29H28N2O5", "smiles": "C=CC(C)(C)c1[nH]c2ccccc2c1-c1c(O)c(OC)c2c(c1OC)O[C@H]1Nc3ccccc3[C@@]21O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0112655" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "UUKUTWRPYUMVID-QGZVFWFLSA-N": { "inchikey": "UUKUTWRPYUMVID-QGZVFWFLSA-N", "inchikey2D": "UUKUTWRPYUMVID", "names": [ "methyl (2r)-6,8-dichloro-5-hydroxy-2'-methoxy-7-methyl-4,4'-dioxospiro[1,3-benzodioxine-2,1'-cyclohexane]-2',5'-diene-6'-carboxylate" ], "molecular_formula": "C17H12Cl2O8", "smiles": "COC(=O)C1=CC(=O)C=C(OC)[C@]12OC(=O)c1c(O)c(Cl)c(C)c(Cl)c1O2", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0030120" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "UGDNNEPDNMTIIF-UHFFFAOYSA-N": { "inchikey": "UGDNNEPDNMTIIF-UHFFFAOYSA-N", "inchikey2D": "UGDNNEPDNMTIIF", "names": [ "4-hydroxy-2,5-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl acetate", "Asterriquinone monoacetate" ], "molecular_formula": "C34H32N2O5", "smiles": "C=CC(C)(C)n1cc(C2=C(O)C(=O)C(c3cn(C(C)(C)C=C)c4ccccc34)=C(OC(C)=O)C2=O)c2ccccc21", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0020204", "npaid": "NPA003795" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "AQBNNSWAQPPMPF-QZPRSPPASA-N": { "inchikey": "AQBNNSWAQPPMPF-QZPRSPPASA-N", "inchikey2D": "AQBNNSWAQPPMPF", "names": [ "(3r,6r,9r)-2,8,11-trihydroxy-3-[(s)-hydroxy(phenyl)methyl]-4,9-dimethyl-6-(sec-butyl)-6,9-dihydro-3h-1,4,7,10-benzotetrazacyclotridecin-5-one" ], "molecular_formula": "C26H32N4O5", "smiles": "CCC(C)[C@H]1N=C(O)[C@@H](C)N=C(O)c2ccccc2N=C(O)[C@@H]([C@@H](O)c2ccccc2)N(C)C1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0030674" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "QKRDCXNLINQVQN-UHFFFAOYSA-N": { "inchikey": "QKRDCXNLINQVQN-UHFFFAOYSA-N", "inchikey2D": "QKRDCXNLINQVQN", "names": [ "2-{2-[(1-hydroxyethylidene)amino]-n,3-dimethylbutanamido}-3-methyl-n-{2-[2-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]ethenyl}butanimidic acid" ], "molecular_formula": "C28H40N4O3", "smiles": "CC(C)=CCc1[nH]c2ccccc2c1C=CN=C(O)C(C(C)C)N(C)C(=O)C(N=C(C)O)C(C)C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0091504" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "ZWBRSXCNRXIIBK-UHFFFAOYSA-N": { "inchikey": "ZWBRSXCNRXIIBK-UHFFFAOYSA-N", "inchikey2D": "ZWBRSXCNRXIIBK", "names": [ "6-benzyl-3-isopropyl-1,4-dimethyl-1,4-diazepane-2,5,7-trione", "Terretrione B" ], "molecular_formula": "C17H22N2O3", "smiles": "CC(C)C1C(=O)N(C)C(=O)C(Cc2ccccc2)C(=O)N1C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0258559", "npaid": "NPA002250" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "VOCWMGRIYMFSCC-FQDVDLAHSA-N": { "inchikey": "VOCWMGRIYMFSCC-FQDVDLAHSA-N", "inchikey2D": "VOCWMGRIYMFSCC", "names": [ "Asperterpene E", "methyl (2s,4ar,4bs,5s,6ar,10as,10bs,12as)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,6,8-tetraoxo-hexahydro-4ah-phenanthro[1,2-c]pyran-2-carboxylate" ], "molecular_formula": "C26H34O8", "smiles": "C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@@H]3C(=O)[C@@H](O)[C@]2(C)[C@H]2C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]12C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0246768", "npaid": "NPA022779" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "LGJVYTQKCOXZFU-UHFFFAOYSA-N": { "inchikey": "LGJVYTQKCOXZFU-UHFFFAOYSA-N", "inchikey2D": "LGJVYTQKCOXZFU", "names": [ "3-methoxy-3-(5-methoxy-4,5-dimethyloxolan-3-yl)prop-2-enoic acid" ], "molecular_formula": "C11H18O5", "smiles": "COC(=CC(=O)O)C1COC(C)(OC)C1C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0020776" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "INMINHZDFXCZEL-UHFFFAOYSA-N": { "inchikey": "INMINHZDFXCZEL-UHFFFAOYSA-N", "inchikey2D": "INMINHZDFXCZEL", "names": [ "4-(2-hydroxypropan-2-yl)-1,6,6-trimethyl-7,7a-dihydro-1h-inden-2-one" ], "molecular_formula": "C15H22O2", "smiles": "CC1C(=O)C=C2C(C(C)(C)O)=CC(C)(C)CC21", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0212130" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "URGMJTWQYIQDDO-UHFFFAOYSA-N": { "inchikey": "URGMJTWQYIQDDO-UHFFFAOYSA-N", "inchikey2D": "URGMJTWQYIQDDO", "names": [ "7a,11b-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-5a,8,8,11a-tetramethyl-7,12-dihydro-6h-2,5-dioxatetraphene-1,11-dione" ], "molecular_formula": "C28H32O9", "smiles": "COc1cc(-c2cc3c(c(=O)o2)CC2(O)C(C)(CCC4(O)C(C)(C)C=CC(=O)C42C)O3)cc(O)c1OC", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0105132" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "YOGCCOGHOCSMQE-UHFFFAOYSA-N": { "inchikey": "YOGCCOGHOCSMQE-UHFFFAOYSA-N", "inchikey2D": "YOGCCOGHOCSMQE", "names": [ "5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methylidene}-4-(4-hydroxyphenyl)furan-2-one" ], "molecular_formula": "C22H20O4", "smiles": "CC(C)=CCc1cc(C=C2OC(=O)C=C2c2ccc(O)cc2)ccc1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0033460" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "OJCUHOMXXINHDN-YMFBSIIISA-N": { "inchikey": "OJCUHOMXXINHDN-YMFBSIIISA-N", "inchikey2D": "OJCUHOMXXINHDN", "names": [ "(2s,4ar,4bs,5r,6as,10as,10bs,12as)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-octahydrophenanthro[1,2-c]pyran-1,4,6,8-tetrone" ], "molecular_formula": "C24H32O6", "smiles": "C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3C(=O)[C@H](O)[C@]2(C)[C@H]2C(=O)O[C@@H](C)C(=O)[C@]12C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0104563" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "AHMYWLVSCSDIAQ-UHFFFAOYSA-N": { "inchikey": "AHMYWLVSCSDIAQ-UHFFFAOYSA-N", "inchikey2D": "AHMYWLVSCSDIAQ", "names": [ "8-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadec-2-ene-4,11-dione" ], "molecular_formula": "C16H20O5", "smiles": "CC12CCCC3(C)C4=CC(=O)OCC4C(O)C(OC1=O)C23", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0274919" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "UIPFPFNDMUGZKY-UHFFFAOYSA-N": { "inchikey": "UIPFPFNDMUGZKY-UHFFFAOYSA-N", "inchikey2D": "UIPFPFNDMUGZKY", "names": [ "3-hydroxy-5,7-dimethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylic acid" ], "molecular_formula": "C12H14O6", "smiles": "COc1cc2c(c(OC)c1C(=O)O)OC(C)C2O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0022451" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "UTDADVSRHQUHBH-OYKKKHCWSA-N": { "inchikey": "UTDADVSRHQUHBH-OYKKKHCWSA-N", "inchikey2D": "UTDADVSRHQUHBH", "names": [ "(2z)-5-hydroxy-4-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methylidene}furan-3-one" ], "molecular_formula": "C27H28O5", "smiles": "CC(C)=CCc1cc(/C=C2\\OC(O)=C(c3ccc(O)c(CC=C(C)C)c3)C2=O)ccc1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0109004" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "MOBUBGUDFJFGGR-UHFFFAOYSA-N": { "inchikey": "MOBUBGUDFJFGGR-UHFFFAOYSA-N", "inchikey2D": "MOBUBGUDFJFGGR", "names": [ "8-hydroxy-15-(4-methoxyphenyl)-2,7,7,11-tetramethyl-6,12,16-trioxatetracyclo[9.8.0.0²,⁸.0¹³,¹⁸]nonadeca-13(18),14-diene-5,17-dione" ], "molecular_formula": "C27H32O7", "smiles": "COc1ccc(-c2cc3c(c(=O)o2)CC2C(C)(CCC4(O)C(C)(C)OC(=O)CCC24C)O3)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0240011" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "SMAWCSOVJJHIOI-DDIVZENXSA-N": { "inchikey": "SMAWCSOVJJHIOI-DDIVZENXSA-N", "inchikey2D": "SMAWCSOVJJHIOI", "names": [ "(-)-terrecyclic acid a", "Terrecyclic acid A" ], "molecular_formula": "C15H20O3", "smiles": "C=C1C(=O)C[C@H]2[C@@H]3CC[C@H](C(=O)O)[C@]12CC3(C)C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0112153", "npaid": "NPA014351" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "NXPWSGHHZIMMOV-HVWQDESWSA-N": { "inchikey": "NXPWSGHHZIMMOV-HVWQDESWSA-N", "inchikey2D": "NXPWSGHHZIMMOV", "names": [ "(5ar,7ar,11as,11bs)-7a,11b-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-5a,8,8,11a-tetramethyl-7,12-dihydro-6h-2,5-dioxatetraphene-1,11-dione", "Territrem E" ], "molecular_formula": "C27H30O8", "smiles": "COc1cc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)C(=O)C=CC(C)(C)[C@]4(O)CC[C@@]2(C)O3)ccc1O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0226486", "npaid": "NPA012384" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "GJQXBDZABFKPRH-UHFFFAOYSA-N": { "inchikey": "GJQXBDZABFKPRH-UHFFFAOYSA-N", "inchikey2D": "GJQXBDZABFKPRH", "names": [ "3,5-dichloro-2-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoic acid", "Geodin hydrate" ], "molecular_formula": "C17H14Cl2O7", "smiles": "COC(=O)c1cc(O)cc(OC)c1Oc1c(C(=O)O)cc(Cl)c(C)c1Cl", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0232692", "npaid": "NPA012279" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "DHLPMLVSBRRUGA-UHFFFAOYSA-N": { "inchikey": "DHLPMLVSBRRUGA-UHFFFAOYSA-N", "inchikey2D": "DHLPMLVSBRRUGA", "names": [ "6-hydroxymellein" ], "molecular_formula": "C10H10O4", "smiles": "CC1Cc2cc(O)cc(O)c2C(=O)O1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0132464" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "QLJODMDSTUBWDW-YPQFMRJXSA-N": { "inchikey": "QLJODMDSTUBWDW-YPQFMRJXSA-N", "inchikey2D": "QLJODMDSTUBWDW", "names": [ "(3r,5r)-7-[(1s,2s,6r,8s,8ar)-2,6-dimethyl-8-{[(2r)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid", "Mevinolinic acid" ], "molecular_formula": "C24H38O6", "smiles": "CC[C@@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0029419", "npaid": "NPA011016" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "XYGSNCPRLVTNHL-XMMPIXPASA-N": { "inchikey": "XYGSNCPRLVTNHL-XMMPIXPASA-N", "inchikey2D": "XYGSNCPRLVTNHL", "names": [ "Aspernolide E", "methyl (2r)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate" ], "molecular_formula": "C24H22O7", "smiles": "COC(=O)[C@]1(Cc2ccc3c(c2)C=CC(C)(C)O3)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0028130", "npaid": "NPA010118" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "DTCVESNFTXDLOC-ARJPJSCDSA-N": { "inchikey": "DTCVESNFTXDLOC-ARJPJSCDSA-N", "inchikey2D": "DTCVESNFTXDLOC", "names": [ "methyl (3r,4ar,4bs,5s,6as,10as,10bs,12ar)-5-hydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,6,8-tetraoxo-hexahydro-3h-phenanthro[2,1-c]pyran-4a-carboxylate" ], "molecular_formula": "C26H34O8", "smiles": "C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3C(=O)[C@@H](O)[C@]2(C)[C@]2(C(=O)OC)C(=O)[C@@H](C)OC(=O)[C@]12C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0030009" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "XIWMGCLILBQGSO-UHFFFAOYSA-N": { "inchikey": "XIWMGCLILBQGSO-UHFFFAOYSA-N", "inchikey2D": "XIWMGCLILBQGSO", "names": [ "14-benzyl-11,16-dihydroxy-5,7,13-trimethyl-12-methylidene-3h,7h,8h,10ah,11h,13h,13ah,14h-oxacyclododeca[2,3-d]isoindole-2,6-dione" ], "molecular_formula": "C28H33NO5", "smiles": "C=C1C(C)C2C(Cc3ccccc3)N=C(O)C23OC(=O)CC=C(C)C(=O)C(C)CC=CC3C1O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0111498" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "KJGWAOPELYGWFA-UHFFFAOYSA-N": { "inchikey": "KJGWAOPELYGWFA-UHFFFAOYSA-N", "inchikey2D": "KJGWAOPELYGWFA", "names": [ "6-benzyl-1,4-dimethyl-3-(2-methylpropyl)-1,4-diazepane-2,5,7-trione", "Terretrione A" ], "molecular_formula": "C18H24N2O3", "smiles": "CC(C)CC1C(=O)N(C)C(=O)C(Cc2ccccc2)C(=O)N1C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0275439", "npaid": "NPA014567" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "DFQGNWLQBKGFOD-HMACKLAMSA-N": { "inchikey": "DFQGNWLQBKGFOD-HMACKLAMSA-N", "inchikey2D": "DFQGNWLQBKGFOD", "names": [ "(1r,2r,5r,6r,9r)-2-(hydroxymethyl)-11,11-dimethyl-3-oxotricyclo[4.3.2.0¹,⁵]undecane-9-carboxylic acid" ], "molecular_formula": "C15H22O4", "smiles": "CC1(C)C[C@@]23[C@H](C(=O)O)CC[C@@H]1[C@H]2CC(=O)[C@H]3CO", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0041578" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "XXFUEPJMSRNLDG-UHFFFAOYSA-N": { "inchikey": "XXFUEPJMSRNLDG-UHFFFAOYSA-N", "inchikey2D": "XXFUEPJMSRNLDG", "names": [ "Asterriquinone A-1", "asterriquinone dimethyl ether" ], "molecular_formula": "C34H34N2O4", "smiles": "C=CC(C)(C)n1cc(C2=C(OC)C(=O)C(c3cn(C(C)(C)C=C)c4ccccc34)=C(OC)C2=O)c2ccccc21", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0044553", "npaid": "NPA007897" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "DLXKJAGJQUQBCR-QNSVNVJESA-N": { "inchikey": "DLXKJAGJQUQBCR-QNSVNVJESA-N", "inchikey2D": "DLXKJAGJQUQBCR", "names": [ "(5r)-3-hydroxy-4-(4-hydroxyphenyl)-5-{[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methyl}-5h-furan-2-one" ], "molecular_formula": "C22H22O6", "smiles": "CC(C)(O)C1Cc2cc(C[C@H]3OC(=O)C(O)=C3c3ccc(O)cc3)ccc2O1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0046629" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "QLJODMDSTUBWDW-BXMDZJJMSA-N": { "inchikey": "QLJODMDSTUBWDW-BXMDZJJMSA-N", "inchikey2D": "QLJODMDSTUBWDW", "names": [ "lovastatin acid" ], "molecular_formula": "C24H38O6", "smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0106441" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "DQRCGWGRLNVJTL-UHFFFAOYSA-N": { "inchikey": "DQRCGWGRLNVJTL-UHFFFAOYSA-N", "inchikey2D": "DQRCGWGRLNVJTL", "names": [ "5-[(2,4-dihydroxyphenyl)methylidene]-4-hydroxy-3-(4-hydroxyphenyl)furan-2-one" ], "molecular_formula": "C17H12O6", "smiles": "O=C1OC(=Cc2ccc(O)cc2O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0039271" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "DKONIHYALJLLSF-UHFFFAOYSA-N": { "inchikey": 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"COc1c(C)c(/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0251723", "npaid": "NPA004317" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "FWHAYHIGJSFGKO-HOYKHHGWSA-N": { "inchikey": "FWHAYHIGJSFGKO-HOYKHHGWSA-N", "inchikey2D": "FWHAYHIGJSFGKO", "names": [ "methyl (2r)-2-[(3-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-4-hydroxyphenyl)methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate" ], "molecular_formula": "C24H24O8", "smiles": "COC(=O)[C@]1(Cc2ccc(O)c(C[C@H]3OC3(C)C)c2)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0117596" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "XRPSJKOYIJOFHY-UHFFFAOYSA-N": { "inchikey": "XRPSJKOYIJOFHY-UHFFFAOYSA-N", "inchikey2D": "XRPSJKOYIJOFHY", "names": [ "methyl 2-[(3-formyl-4-hydroxyphenyl)methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate" ], "molecular_formula": "C20H16O8", "smiles": "COC(=O)C1(Cc2ccc(O)c(C=O)c2)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0038223" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "NLUPEKNVASDPQD-PIPNHUANSA-N": { "inchikey": "NLUPEKNVASDPQD-PIPNHUANSA-N", "inchikey2D": "NLUPEKNVASDPQD", "names": [ "methyl (2's,4s,4'as,4'bs,5s,5's,6'as,10'as,10'bs,12'as)-5'-hydroxy-2',4,4'b,5,7',7',10'a,12'a-octamethyl-12'-methylidene-1',4',6'-trioxo-hexahydro-4'ah-spiro[1,3-dioxolane-2,8'-phenanthro[1,2-c]pyran]-2'-carboxylate" ], "molecular_formula": "C30H42O9", "smiles": "C=C1C[C@H]2[C@]3(C)CCC4(O[C@@H](C)[C@H](C)O4)C(C)(C)[C@H]3C(=O)[C@@H](O)[C@]2(C)[C@@H]2C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]12C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0050784" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "JICCDSOXRQWNCM-VCUSLETLSA-N": { "inchikey": "JICCDSOXRQWNCM-VCUSLETLSA-N", "inchikey2D": "JICCDSOXRQWNCM", "names": [ "methyl (2r)-2-{[3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxyphenyl]methyl}-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate" ], "molecular_formula": "C24H26O9", "smiles": "COC(=O)[C@]1(Cc2ccc(O)c(CC(O)C(C)(C)O)c2)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0050296" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "WRHGORWNJGOVQY-UHFFFAOYSA-N": { "inchikey": "WRHGORWNJGOVQY-UHFFFAOYSA-N", "inchikey2D": "WRHGORWNJGOVQY", "names": [ "4-isopropyl-6-methyl-1-methylidene-3,4,4a,7,8,8a-hexahydro-2h-naphthalene" ], "molecular_formula": "C15H24", "smiles": "C=C1CCC(C(C)C)C2C=C(C)CCC12", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0111070" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "YGNQCPMMANWUQE-OPEAARRCSA-N": { "inchikey": "YGNQCPMMANWUQE-OPEAARRCSA-N", "inchikey2D": "YGNQCPMMANWUQE", "names": [ "ethyl (2r)-4-hydroxy-2-[(3-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methyl]-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate" ], "molecular_formula": "C25H26O8", "smiles": "CCOC(=O)[C@]1(Cc2ccc3c(c2)CC(O)C(C)(C)O3)OC(=O)C(O)=C1c1ccc(O)cc1", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0126583" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "YACYONYLJTYMLP-UHFFFAOYSA-N": { "inchikey": "YACYONYLJTYMLP-UHFFFAOYSA-N", "inchikey2D": "YACYONYLJTYMLP", "names": [ "3-{2-[5-acetyl-2-(5,7-dimethyl-2-oxonona-3,5-dien-1-yl)-4,5-dihydroxy-3-oxocyclopent-1-en-1-yl]-4,5-dihydroxyphenyl}-4-hydroxy-5-[(4-hydroxyphenyl)methylidene]furan-2-one" ], "molecular_formula": "C35H34O11", "smiles": "CCC(C)C=C(C)C=CC(=O)CC1=C(c2cc(O)c(O)cc2C2=C(O)C(=Cc3ccc(O)cc3)OC2=O)C(O)(C(C)=O)C(O)C1=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0259326" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "VMDRKPOWEASMAD-UHFFFAOYSA-N": { "inchikey": "VMDRKPOWEASMAD-UHFFFAOYSA-N", "inchikey2D": "VMDRKPOWEASMAD", "names": [ "2,2',7',7',11',16'-hexamethyl-3,5'-dioxo-2,9a-dihydro-1h-6',15'-dioxaspiro[imidazo[1,2-a]indole-9,14'-tetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecan]-3'-en-10'-yl acetate" ], "molecular_formula": "C33H42N2O6", "smiles": "CC(=O)OC1CC2C(C)(C)OC(=O)C=CC2(C)C2CCC3(C)OC4(CC3C12C)c1ccccc1N1C(=O)C(C)NC14", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0119095" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "SEETYEZEEVLMJA-UHFFFAOYSA-N": { "inchikey": "SEETYEZEEVLMJA-UHFFFAOYSA-N", "inchikey2D": "SEETYEZEEVLMJA", "names": [ "5,12,12-trimethyl-6-oxatetracyclo[6.5.0.0¹,⁵.0²,¹¹]tridecane-4,7-dione" ], "molecular_formula": "C15H20O3", "smiles": "CC1(C)CC23C4CCC1C2CC(=O)C3(C)OC4=O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0225790" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "VOCWMGRIYMFSCC-IVJJYCIESA-N": { "inchikey": "VOCWMGRIYMFSCC-IVJJYCIESA-N", "inchikey2D": "VOCWMGRIYMFSCC", "names": [ "Asperterpene G", "methyl (2s,4as,4bs,5s,6as,10as,10bs,12as)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,6,8-tetraoxo-hexahydro-4ah-phenanthro[1,2-c]pyran-2-carboxylate" ], "molecular_formula": "C26H34O8", "smiles": "C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3C(=O)[C@@H](O)[C@]2(C)[C@@H]2C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]12C", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0120308", "npaid": "NPA022781" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "CYHGEJACRPDZDP-IKNWHQMFSA-N": { "inchikey": "CYHGEJACRPDZDP-IKNWHQMFSA-N", "inchikey2D": "CYHGEJACRPDZDP", "names": [ "methyl (2r,4ar,4bs,10as,10bs,12ar)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,8-tetraoxo-4ah,9h,10h,11h-phenanthro[1,2-c]pyran-2-carboxylate" ], "molecular_formula": "C26H32O9", "smiles": "C=C1C[C@]2(O)[C@@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@@]2(C)[C@@H]2C(=O)O[C@@](C)(C(=O)OC)C(=O)[C@@]12C", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0117147" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "PKCDWPUCZAGRDO-UHFFFAOYSA-N": { "inchikey": "PKCDWPUCZAGRDO-UHFFFAOYSA-N", "inchikey2D": "PKCDWPUCZAGRDO", "names": [ "4-(2-hydroxypropan-2-yl)-1,6,6-trimethyl-4,5,7,7a-tetrahydro-1h-inden-2-one" ], "molecular_formula": "C15H24O2", "smiles": "CC1C(=O)C=C2C1CC(C)(C)CC2C(C)(C)O", "species": [ "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0259744" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus terreus" ] }, "VMDRKPOWEASMAD-CPUMHDPCSA-N": { "inchikey": "VMDRKPOWEASMAD-CPUMHDPCSA-N", "inchikey2D": "VMDRKPOWEASMAD", "names": [ "(1'r,2s,2'r,8'r,9s,9as,10's,11'r,12's,16's)-2,2',7',7',11',16'-hexamethyl-3,5'-dioxo-2,9a-dihydro-1h-6',15'-dioxaspiro[imidazo[1,2-a]indole-9,14'-tetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadecan]-3'-en-10'-yl acetate", "Teraspiridole A" ], "molecular_formula": "C33H42N2O6", "smiles": "CC(=O)O[C@H]1C[C@H]2C(C)(C)OC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)O[C@@]4(C[C@H]3[C@]12C)c1ccccc1N1C(=O)[C@H](C)N[C@@H]14", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Aspergillus terreus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0254238", "npaid": "NPA008734" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Aspergillus terreus" ] }, "FFZHRKWHOSWIRV-UHFFFAOYSA-N": { "inchikey": "FFZHRKWHOSWIRV-UHFFFAOYSA-N", "inchikey2D": "FFZHRKWHOSWIRV", "names": [ "tris(1-hydroxy-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}pyrazin-2-one)" ], "molecular_formula": "C60H69N9O9", "smiles": 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"INCLUDE:Coprinopsis==Coprinopsis" ] }, "ZCKYOWGFRHAZIQ-UHFFFAOYSA-N": { "inchikey": "ZCKYOWGFRHAZIQ-UHFFFAOYSA-N", "inchikey2D": "ZCKYOWGFRHAZIQ", "names": [ "5-imidazolepropionic acid" ], "molecular_formula": "C6H8N2O2", "smiles": "O=C(O)CCc1cnc[nH]1", "species": [ "[query-hint] Coprinopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0109595" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Coprinopsis==Coprinopsis" ] }, "PRJKNHOMHKJCEJ-UHFFFAOYSA-N": { "inchikey": "PRJKNHOMHKJCEJ-UHFFFAOYSA-N", "inchikey2D": "PRJKNHOMHKJCEJ", "names": [ "imidazoleacetic acid" ], "molecular_formula": "C5H6N2O2", "smiles": "O=C(O)Cc1cnc[nH]1", "species": [ "[query-hint] Coprinopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0112411" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Coprinopsis==Coprinopsis" ] }, "TXEWQNHJNPBCJE-CABCVRRESA-N": { "inchikey": "TXEWQNHJNPBCJE-CABCVRRESA-N", "inchikey2D": 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"INCLUDE:Coprinus==Coprinus" ] }, "APSZJCDRKANCQP-QDDXXPMJSA-N": { "inchikey": "APSZJCDRKANCQP-QDDXXPMJSA-N", "inchikey2D": "APSZJCDRKANCQP", "names": [ "(2s,3s)-2-[(1r,2s,3ar,4r,5ar,7s,9as,10s,11as)-4,7,10-tris(acetyloxy)-2-hydroxy-11a-(hydroxymethyl)-3a,6,6,9a-tetramethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-en-3-yl acetate" ], "molecular_formula": "C38H58O10", "smiles": "CC(=O)O[C@H]1C[C@]2(CO)[C@@H]([C@H](C)[C@H](CC=C(C)C)OC(C)=O)[C@@H](O)C[C@@]2(C)C2=C1[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]2OC(C)=O", "species": [ "[query-hint] Coprinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0224860" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Coprinus==Coprinus" ] }, "XUXXDJLUAMCRLH-UHFFFAOYSA-N": { "inchikey": "XUXXDJLUAMCRLH-UHFFFAOYSA-N", "inchikey2D": "XUXXDJLUAMCRLH", "names": [ "2'-(hydroxymethyl)-2',4'-dimethyl-6'-methylidene-1',3',7',7'a-tetrahydrospiro[cyclopropane-1,5'-inden]-7'-ol" ], "molecular_formula": "C15H22O2", "smiles": "C=C1C(O)C2CC(C)(CO)CC2=C(C)C12CC2", "species": [ "[query-hint] Coprinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0080133" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Coprinus==Coprinus" ] }, "FORGRSMNOFWNBO-UHFFFAOYSA-N": { "inchikey": "FORGRSMNOFWNBO-UHFFFAOYSA-N", "inchikey2D": "FORGRSMNOFWNBO", "names": [ "4-oxohepta-2,5-dienedioic acid" ], "molecular_formula": "C7H6O5", "smiles": "O=C(O)C=CC(=O)C=CC(=O)O", "species": [ "[query-hint] Coprinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0083295" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Coprinus==Coprinus" ] }, "IYTKKCNBDYMWIQ-UHFFFAOYSA-N": { "inchikey": "IYTKKCNBDYMWIQ-UHFFFAOYSA-N", "inchikey2D": "IYTKKCNBDYMWIQ", "names": [ "2,6-dihydroxy-1-isopropyl-8a,10a-dimethyl-3,4-dioxo-1h,2h,3ah,6h,7h,8h,9h,10h-cyclohexa[f]azulene-5-carboxylic acid" ], "molecular_formula": "C20H28O6", "smiles": 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{ "lotus_id": "LTS0057799", "npaid": "NPA011434" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "PEDZYCDSAWVMRN-DZEHZSJLSA-N": { "inchikey": "PEDZYCDSAWVMRN-DZEHZSJLSA-N", "inchikey2D": "PEDZYCDSAWVMRN", "names": [ "(3s,4s)-5-[(3s,4s)-4-(acetyloxy)-10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4-yl acetate" ], "molecular_formula": "C36H38O12", "smiles": "COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)CO[C@@H](C)[C@H]5OC(C)=O)c2c1)[C@H](OC(C)=O)[C@H](C)OC3", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0075993" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "XWKNZWMZVKJEKJ-VGOFMYFVSA-N": { "inchikey": "XWKNZWMZVKJEKJ-VGOFMYFVSA-N", "inchikey2D": "XWKNZWMZVKJEKJ", "names": [ 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"INCLUDE:Cordyceps==Cordyceps" ] }, "CFXXFGCOVLKQAW-YLTONLMQSA-N": { "inchikey": "CFXXFGCOVLKQAW-YLTONLMQSA-N", "inchikey2D": "CFXXFGCOVLKQAW", "names": [ "(2e,4e,6e,8r,10r)-1-{2,4-dihydroxy-5-[(1r,4r)-1,4-dihydroxycyclohexyl]pyridin-3-yl}-6,8,10-trimethyldodeca-2,4,6-trien-1-one" ], "molecular_formula": "C26H37NO5", "smiles": "CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(=O)c1c(O)ncc([C@]2(O)CC[C@H](O)CC2)c1O", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0070549" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "GCOQLRRFBKJAPF-DBGSMAKUSA-N": { "inchikey": "GCOQLRRFBKJAPF-DBGSMAKUSA-N", "inchikey2D": "GCOQLRRFBKJAPF", "names": [ "(10e)-11-{[(1s,2s,4s,5s,6s,7r,8s)-1,5,7-trihydroxy-10-oxo-3-oxatricyclo[4.3.1.0²,⁴]decan-8-yl]-c-hydroxycarbonimidoyl}undec-10-enoic acid" ], "molecular_formula": "C21H31NO8", "smiles": 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"C17H22O9", "smiles": "COc1cc(C=CC(=O)O)cc(OC2OC(CO)C(OC)C(O)C2O)c1", "species": [ "[query-hint] Cordyceps", "[query-hint] Cordyceps cicadae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0049588" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps cicadae==Cordyceps" ] }, "LRXYHMMJJCTUMY-GWXUGYLUSA-N": { "inchikey": "LRXYHMMJJCTUMY-GWXUGYLUSA-N", "inchikey2D": "LRXYHMMJJCTUMY", "names": [ "(9r,14s,17s,23r,24s)-23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-en-1-yl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0²,⁷.0⁸,²⁵.0¹⁵,²³.0¹⁷,²¹]pentacosa-1(25),2,4,6-tetraene-16,22-dione", "Verruculogen" ], "molecular_formula": "C27H33N3O7", "smiles": "COc1ccc2c3c4n(c2c1)[C@@H](C=C(C)C)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0181363", "npaid": 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"INCLUDE:Cordyceps==Cordyceps" ] }, "WCQOVQCOVLYQSA-OSEYQMQZSA-N": { "inchikey": "WCQOVQCOVLYQSA-OSEYQMQZSA-N", "inchikey2D": "WCQOVQCOVLYQSA", "names": [ "(2e,4e,6e,8e,10r)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8,10-dimethyldodeca-2,4,6,8-tetraen-1-one" ], "molecular_formula": "C25H27NO4", "smiles": "CC[C@@H](C)/C=C(C)/C=C/C=C/C=C/C(=O)c1c(O)ncc(-c2ccc(O)cc2)c1O", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0007618" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "ARCIXFTVJZVNLB-SYCZULHYSA-N": { "inchikey": "ARCIXFTVJZVNLB-SYCZULHYSA-N", "inchikey2D": "ARCIXFTVJZVNLB", "names": [ "(2s,3r,4r,5s,6r)-2-[(8-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}naphthalen-1-yl)oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol" ], "molecular_formula": "C24H32O12", "smiles": 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"toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "CFXXFGCOVLKQAW-ZUOACUPQSA-N": { "inchikey": "CFXXFGCOVLKQAW-ZUOACUPQSA-N", "inchikey2D": "CFXXFGCOVLKQAW", "names": [ "(2e,4e,6e,8r,10r)-1-[5-(1,4-dihydroxycyclohexyl)-2,4-dihydroxypyridin-3-yl]-6,8,10-trimethyldodeca-2,4,6-trien-1-one" ], "molecular_formula": "C26H37NO5", "smiles": "CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(=O)c1c(O)ncc(C2(O)CCC(O)CC2)c1O", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0011060" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "QREJCUMXULFOIT-UHFFFAOYSA-N": { "inchikey": "QREJCUMXULFOIT-UHFFFAOYSA-N", "inchikey2D": "QREJCUMXULFOIT", "names": [ "1,1',3,3',6,8,8'-heptahydroxy-6'-methoxy-[2,2'-bianthracene]-9,9',10,10'-tetrone", "Morakotin E" ], "molecular_formula": "C29H16O12", "smiles": "COc1cc(O)c2c(c1)C(=O)c1cc(O)c(-c3c(O)cc4c(c3O)C(=O)c3c(O)cc(O)cc3C4=O)c(O)c1C2=O", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0054619", "npaid": "NPA024901" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "UIXDBHLNQHECCU-KCVUBSRHSA-N": { "inchikey": "UIXDBHLNQHECCU-KCVUBSRHSA-N", "inchikey2D": "UIXDBHLNQHECCU", "names": [ "(3s,4s)-5-[(3s,4s)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4-yl acetate", "Not named" ], "molecular_formula": "C34H36O11", "smiles": "COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)CO[C@@H](C)[C@H]5OC(C)=O)c2c1)[C@H](O)[C@H](C)OC3", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0011604", "npaid": "NPA014352" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "RKWVKFFFOYCNSI-JEZHCXPESA-N": { "inchikey": "RKWVKFFFOYCNSI-JEZHCXPESA-N", "inchikey2D": "RKWVKFFFOYCNSI", "names": [ "(4s,5s,10r)-4-hydroxy-5-methoxy-10-methyloxecane-2,7-dione", "Not named" ], "molecular_formula": "C11H18O5", "smiles": "CO[C@H]1CC(=O)CC[C@@H](C)OC(=O)C[C@@H]1O", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps", "[query-hint] Cordyceps militaris" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0031574", "npaid": "NPA001251" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps militaris==Cordyceps" ] }, "YPXVCTFUBLPLTC-UHFFFAOYSA-N": { "inchikey": "YPXVCTFUBLPLTC-UHFFFAOYSA-N", "inchikey2D": "YPXVCTFUBLPLTC", "names": [ "2,2',4,4',5,5',7-heptahydroxy-7'-methoxy-[1,1'-bianthracene]-9,9',10,10'-tetrone", "Morakotin D" ], "molecular_formula": "C29H16O12", "smiles": "COc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(O)cc(O)c1C3=O)C2=O", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0251523", "npaid": "NPA024900" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "SGVOKQVCWJVGRH-UJSJBRGRSA-N": { "inchikey": "SGVOKQVCWJVGRH-UJSJBRGRSA-N", "inchikey2D": "SGVOKQVCWJVGRH", "names": [ "(2e)-n-[(1s,2s,4s,5s,6s,7r,8s)-1,7-dihydroxy-5-methoxy-10-oxo-3-oxatricyclo[4.3.1.0²,⁴]decan-8-yl]dodec-2-enimidic acid" ], "molecular_formula": "C22H35NO6", "smiles": "CCCCCCCCC/C=C/C(O)=N[C@H]1C[C@@]2(O)C(=O)[C@H]([C@H](OC)[C@@H]3O[C@@H]32)[C@H]1O", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0251910" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "DSGPWSYQJVLDOV-WQRDJFRPSA-N": { "inchikey": "DSGPWSYQJVLDOV-WQRDJFRPSA-N", "inchikey2D": "DSGPWSYQJVLDOV", "names": [ "(8e)-9-{[(2s)-1-hydroxy-3-(2-hydroxyphenyl)propan-2-yl]-c-hydroxycarbonimidoyl}non-8-enoic acid", "Cordytakaoamide B" ], "molecular_formula": "C19H27NO5", "smiles": "O=C(O)CCCCCC/C=C/C(O)=N[C@H](CO)Cc1ccccc1O", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0226421", "npaid": "NPA027087" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "XNRPVPHNDQHWLJ-PMACEKPBSA-N": { "inchikey": "XNRPVPHNDQHWLJ-PMACEKPBSA-N", "inchikey2D": "XNRPVPHNDQHWLJ", "names": [ "Tryprostatin A", "tryprostatin a" ], "molecular_formula": "C22H27N3O3", "smiles": "COc1ccc2c(C[C@@H]3N=C(O)[C@@H]4CCCN4C3=O)c(CC=C(C)C)[nH]c2c1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0091627", "npaid": "NPA006056" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Cordyceps==Cordyceps" ] }, "KOJDHHJUQBZUHA-OPUSJTDESA-N": { "inchikey": "KOJDHHJUQBZUHA-OPUSJTDESA-N", "inchikey2D": "KOJDHHJUQBZUHA", "names": [ "(2e)-n-[(2r,3s,4as,8r,8ar)-8-chloro-2,4a-dihydroxy-8a-methyl-5-oxo-2,3,4,8-tetrahydro-1-benzopyran-3-yl]dodec-2-enimidic acid" ], "molecular_formula": "C22H34ClNO5", "smiles": "CCCCCCCCC/C=C/C(O)=N[C@H]1C[C@@]2(O)C(=O)C=C[C@@H](Cl)[C@]2(C)O[C@H]1O", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0033485" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "BFJKFLDLQKCOHR-UHFFFAOYSA-N": { "inchikey": "BFJKFLDLQKCOHR-UHFFFAOYSA-N", "inchikey2D": "BFJKFLDLQKCOHR", "names": [ "1,4-dihydroxy-5-(4-hydroxycyclohex-1-en-1-yl)-3-(6,8,10-trimethyldodeca-2,4,6-trienoyl)pyridin-2-one" ], "molecular_formula": "C26H35NO5", "smiles": "CCC(C)CC(C)C=C(C)C=CC=CC(=O)c1c(O)c(C2=CCC(O)CC2)cn(O)c1=O", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0004008" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "BQBLZAMUHGIEFL-JRVIZFGFSA-N": { "inchikey": "BQBLZAMUHGIEFL-JRVIZFGFSA-N", "inchikey2D": "BQBLZAMUHGIEFL", "names": [ "(2e)-n-[(2r,3s,4as,8r,8ar)-8-chloro-2,4a-dihydroxy-5-oxo-3,4,8,8a-tetrahydro-2h-1-benzopyran-3-yl]dodec-2-enimidic acid" ], "molecular_formula": "C21H32ClNO5", "smiles": "CCCCCCCCC/C=C/C(O)=N[C@H]1C[C@@]2(O)C(=O)C=C[C@@H](Cl)[C@@H]2O[C@H]1O", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0029356" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "DMYFRPAJVOQFRL-UHFFFAOYSA-N": { "inchikey": "DMYFRPAJVOQFRL-UHFFFAOYSA-N", "inchikey2D": "DMYFRPAJVOQFRL", "names": [ "6-{10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl}-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4,10-diol" ], "molecular_formula": "C32H34O9", "smiles": "COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc(OC)c5c(O)c6c(cc45)C(O)C(C)OC6)c2c1)CC(C)OC3", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0028355" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "FCGCMRDADMTJIM-LFDIKFNASA-N": { "inchikey": "FCGCMRDADMTJIM-LFDIKFNASA-N", "inchikey2D": "FCGCMRDADMTJIM", "names": [ "(5r,8s,9r)-8-benzoyl-2-[(1s,2s,3z)-1,2-dihydroxypent-3-en-1-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one", "14-norpseurotin A" ], "molecular_formula": "C21H23NO8", "smiles": "C/C=C\\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(O)=N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0048907", "npaid": "NPA007733" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Cordyceps==Cordyceps" ] }, "SMQUWAPDCGSDCO-HMNPXLOQSA-N": { "inchikey": "SMQUWAPDCGSDCO-HMNPXLOQSA-N", "inchikey2D": "SMQUWAPDCGSDCO", "names": [ "n-[(2r,3s,4as,8r,8ar)-8-chloro-2,4a-dihydroxy-8a-methyl-5-oxo-2,3,4,8-tetrahydro-1-benzopyran-3-yl]dodeca-2,10-dienimidic acid" ], "molecular_formula": "C22H32ClNO5", "smiles": "CC=CCCCCCCC=CC(O)=N[C@H]1C[C@@]2(O)C(=O)C=C[C@@H](Cl)[C@]2(C)O[C@H]1O", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0023847" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "LIELYYSFQZFDLQ-HOTGVXAUSA-N": { "inchikey": "LIELYYSFQZFDLQ-HOTGVXAUSA-N", "inchikey2D": "LIELYYSFQZFDLQ", "names": [ "(3s)-5-[(3s)-10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-10-ol", "Not named" ], "molecular_formula": "C32H34O8", "smiles": "COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)CO[C@@H](C)C5)c2c1)C[C@H](C)OC3", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0240110", "npaid": "NPA004805" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "BFJKFLDLQKCOHR-BFIBXSCBSA-N": { "inchikey": "BFJKFLDLQKCOHR-BFIBXSCBSA-N", "inchikey2D": "BFJKFLDLQKCOHR", "names": [ "militarinone e, (rel)-" ], "molecular_formula": "C26H35NO5", "smiles": "CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(=O)c1c(O)c(C2=CC[C@@H](O)CC2)cn(O)c1=O", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0043079" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "PIMWBVGFXQUSRP-WKNAPIQKSA-N": { "inchikey": "PIMWBVGFXQUSRP-WKNAPIQKSA-N", "inchikey2D": "PIMWBVGFXQUSRP", "names": [ "(3e)-n-[(4e,9e)-7-ethyl-3-hydroxy-10-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-4,9-dien-2-yl]-2-hydroxyhexadec-3-enimidic acid", "Cordycerebroside B" ], "molecular_formula": "C41H75NO9", "smiles": "CCCCCCCCCCCC/C=C/C(O)C(O)=NC(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)/C=C/CC(CC)C/C=C(\\C)CCCCCC", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps", "[query-hint] Cordyceps militaris" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0237679", "npaid": "NPA027061" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps militaris==Cordyceps" ] }, "ZKTCNVOZWQFCKW-UHFFFAOYSA-N": { "inchikey": "ZKTCNVOZWQFCKW-UHFFFAOYSA-N", "inchikey2D": "ZKTCNVOZWQFCKW", "names": [ "2-[7-(hydroxymethyl)-6-pentyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol" ], "molecular_formula": "C17H26O3", "smiles": "CCCCCc1ccc2c(c1CO)OC(C(C)(C)O)C2", "species": [ "[query-hint] Cordyceps", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0040331" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "UDCRDQXRAIZJAO-JARFSDGLSA-N": { "inchikey": "UDCRDQXRAIZJAO-JARFSDGLSA-N", "inchikey2D": "UDCRDQXRAIZJAO", "names": [ "(2e)-n-[(1s,2s,4's,5'r,6s)-5'-hydroxy-3-oxo-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-oxolan]-4-en-4'-yl]dodec-2-enimidic acid" ], "molecular_formula": "C21H31NO5", "smiles": "CCCCCCCCC/C=C/C(O)=N[C@H]1C[C@@]2(O[C@H]1O)C(=O)C=C[C@@H]1O[C@@H]12", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0247575" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "PHRCULZLDFTOFU-BQYQJAHWSA-N": { "inchikey": "PHRCULZLDFTOFU-BQYQJAHWSA-N", "inchikey2D": "PHRCULZLDFTOFU", "names": [ "3-{4-[2-({4-[2-({4-[(1e)-but-1-en-1-yl]-2,5-dioxofuran-3-yl}methyl)butyl]-2,5-dioxofuran-3-yl}methyl)butyl]-2,5-dioxofuran-3-yl}propanoic acid", "Cordyanhydride B" ], "molecular_formula": "C29H32O11", "smiles": "CC/C=C/C1=C(CC(CC)CC2=C(CC(CC)CC3=C(CCC(=O)O)C(=O)OC3=O)C(=O)OC2=O)C(=O)OC1=O", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0017390", "npaid": "NPA010783" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "HJCSSOXITDMEEP-YCHDRXDESA-N": { "inchikey": "HJCSSOXITDMEEP-YCHDRXDESA-N", "inchikey2D": "HJCSSOXITDMEEP", "names": [ "militarinone f" ], "molecular_formula": "C26H35NO5", "smiles": "CCC(C)CC(C)/C=C(C)/C=C/C=C/C(=O)c1c(O)c(C23CCC(CC2)O3)cn(O)c1=O", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0264636" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "JZUUBLXPQTVXPP-FTQJZPFOSA-N": { "inchikey": "JZUUBLXPQTVXPP-FTQJZPFOSA-N", "inchikey2D": "JZUUBLXPQTVXPP", "names": [ "4-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-methoxybenzoic acid" ], "molecular_formula": "C15H20O9", "smiles": "COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]1O", "species": [ "[query-hint] Cordyceps", "[query-hint] Cordyceps cicadae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0114464" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps cicadae==Cordyceps" ] }, "XARWTRNVQZILGP-AACUSYOXSA-N": { "inchikey": "XARWTRNVQZILGP-AACUSYOXSA-N", "inchikey2D": "XARWTRNVQZILGP", "names": [ "(2s)-n-(1-{[(1s,2s)-1-{[(2s)-1-amino-4-methylpentan-2-yl]-c-hydroxycarbonimidoyl}-2-methylbutyl]-c-hydroxycarbonimidoyl}-1-methylethyl)-2-[(2-{[(2s)-2-({[(2s,4r)-1-[(2s,4r)-1-decanoyl-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-2-methylpropylidene)amino]pentanediimidic acid", "Cicadapeptin II" ], "molecular_formula": "C50H90N10O11", "smiles": "CCCCCCCCCC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(O)=N[C@H](C(O)=NC(C)(C)C(O)=N[C@@H](CCC(=N)O)C(O)=NC(C)(C)C(O)=N[C@H](C(O)=N[C@H](CN)CC(C)C)[C@@H](C)CC)C(C)C", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0121556", "npaid": "NPA001803" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "IPCSVZSSVZVIGE-UHFFFAOYSA-N": { "inchikey": "IPCSVZSSVZVIGE-UHFFFAOYSA-N", "inchikey2D": "IPCSVZSSVZVIGE", "names": [ "palmitic acid" ], "molecular_formula": "C16H32O2", "smiles": "CCCCCCCCCCCCCCCC(=O)O", "species": [ "[query-hint] Cordyceps", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Lactarius", "[query-hint] Phellinus", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus", "[query-hint] Yarrowia lipolytica" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0079439" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Lactarius==Lactarius" ] }, "IBCGSBLAZKITEU-NOOOWODRSA-N": { "inchikey": "IBCGSBLAZKITEU-NOOOWODRSA-N", "inchikey2D": "IBCGSBLAZKITEU", "names": [ "(4s,7r)-7-{[(4r,5s)-4,5-dihydroxyhex-2-enoyl]oxy}-4-hydroxyoct-2-enoic acid", "Hydrolyzed cordybislactone" ], "molecular_formula": "C14H22O7", "smiles": "C[C@H](O)[C@H](O)C=CC(=O)O[C@H](C)CC[C@H](O)C=CC(=O)O", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0214871", "npaid": "NPA021724" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "GEYHLUSXSLMSRF-UHFFFAOYSA-N": { "inchikey": "GEYHLUSXSLMSRF-UHFFFAOYSA-N", "inchikey2D": "GEYHLUSXSLMSRF", "names": [ "5-[4-(acetyloxy)-7,10-dihydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4-yl acetate" ], "molecular_formula": "C35H36O12", "smiles": "COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(O)cc46)COC(C)C5OC(C)=O)c2c1)C(OC(C)=O)C(C)OC3", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0082750" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "SSVNIYICRYPPEB-NOOOWODRSA-N": { "inchikey": "SSVNIYICRYPPEB-NOOOWODRSA-N", "inchikey2D": "SSVNIYICRYPPEB", "names": [ "(5r,6s,11s,14r)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione", "Cordybislactone" ], "molecular_formula": "C14H20O6", "smiles": "C[C@@H]1OC(=O)C=C[C@@H](O)CC[C@@H](C)OC(=O)C=C[C@H]1O", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0235414", "npaid": "NPA021723" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "SSVNIYICRYPPEB-SFECMWDFSA-N": { "inchikey": "SSVNIYICRYPPEB-SFECMWDFSA-N", "inchikey2D": "SSVNIYICRYPPEB", "names": [ "(3z,9z)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione" ], "molecular_formula": "C14H20O6", "smiles": "CC1CCC(O)/C=C\\C(=O)OC(C)C(O)/C=C\\C(=O)O1", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0087093" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "SSVNIYICRYPPEB-UHFFFAOYSA-N": { "inchikey": "SSVNIYICRYPPEB-UHFFFAOYSA-N", "inchikey2D": "SSVNIYICRYPPEB", "names": [ "5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione" ], "molecular_formula": "C14H20O6", "smiles": "CC1CCC(O)C=CC(=O)OC(C)C(O)C=CC(=O)O1", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0070660" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "ZZIKIHCNFWXKDY-GNTQXERDSA-N": { "inchikey": "ZZIKIHCNFWXKDY-GNTQXERDSA-N", "inchikey2D": "ZZIKIHCNFWXKDY", "names": [ "myriocin" ], "molecular_formula": "C21H39NO6", "smiles": "CCCCCCC(=O)CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O", "species": [ "[query-hint] Cordyceps", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0166128" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "ZXPWAGZHBVVLJM-PPLXTMPISA-N": { "inchikey": "ZXPWAGZHBVVLJM-PPLXTMPISA-N", "inchikey2D": "ZXPWAGZHBVVLJM", "names": [ "(6s,9s,12s,15s,18r,23as)-6,18-dibenzyl-12-[(2s)-butan-2-yl]-4,10,13-trihydroxy-9-[(4-hydroxyphenyl)methyl]-2,8,17-trimethyl-15-(2-methylpropyl)-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosane-1,7,16,19-tetrone", "Cordyheptapeptide A" ], "molecular_formula": "C49H65N7O8", "smiles": "CC[C@H](C)[C@@H]1N=C(O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N=C(O)CN(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N=C1O", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0175023", "npaid": "NPA012153" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "KPWLCIMXGXBDGX-TUGQHZFXSA-N": { "inchikey": "KPWLCIMXGXBDGX-TUGQHZFXSA-N", "inchikey2D": "KPWLCIMXGXBDGX", "names": [ "n-[(3z)-1,4-bis(3,4-dihydroxyphenyl)-3-[(hydroxymethylidene)amino]buta-1,3-dien-2-yl]carboximidic acid" ], "molecular_formula": "C18H16N2O6", "smiles": "OC=NC(=Cc1ccc(O)c(O)c1)/C(=C/c1ccc(O)c(O)c1)N=CO", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0101436" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "JACPLNLRQCNGQJ-FACFEIAPSA-N": { "inchikey": "JACPLNLRQCNGQJ-FACFEIAPSA-N", "inchikey2D": "JACPLNLRQCNGQJ", "names": [ "(2r,3ar,4's,5's,6as)-4'-hydroxy-5'-[(3r)-3-hydroxybutyl]-4-[(2e,5r)-5-methyloxolan-2-ylidene]-tetrahydrospiro[cyclopenta[b]furan-2,2'-oxolan]-5-one", "Opaliferin" ], "molecular_formula": "C19H28O6", "smiles": "C[C@@H](O)CC[C@@H]1O[C@@]2(C[C@@H]1O)C[C@@H]1/C(=C3/CC[C@@H](C)O3)C(=O)C[C@@H]1O2", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0146767", "npaid": "NPA010912" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "MKZPNGBJJJZJMI-GBLVNJONSA-N": { "inchikey": "MKZPNGBJJJZJMI-GBLVNJONSA-N", "inchikey2D": "MKZPNGBJJJZJMI", "names": [ "ergosteryl 3-β-d-glucoside" ], "molecular_formula": "C34H54O6", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Cordyceps", "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0119481" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "NVJOHXLMVTYSFU-DSBHZGLUSA-N": { "inchikey": "NVJOHXLMVTYSFU-DSBHZGLUSA-N", "inchikey2D": "NVJOHXLMVTYSFU", "names": [ "(2s)-n-(1-{[(1s)-1-{[(2s)-1-amino-4-methylpentan-2-yl]-c-hydroxycarbonimidoyl}-3-methylbutyl]-c-hydroxycarbonimidoyl}-1-methylethyl)-2-[(2-{[(2s)-2-({[(2s,4r)-1-[(2s,4r)-1-decanoyl-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-2-methylpropylidene)amino]pentanediimidic acid", "Cicadapeptin I" ], "molecular_formula": "C50H90N10O11", "smiles": "CCCCCCCCCC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(O)=N[C@H](C(O)=NC(C)(C)C(O)=N[C@@H](CCC(=N)O)C(O)=NC(C)(C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](CN)CC(C)C)C(C)C", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0091935", "npaid": "NPA008995" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "YHOMSAQMMFCVKI-UHFFFAOYSA-N": { "inchikey": "YHOMSAQMMFCVKI-UHFFFAOYSA-N", "inchikey2D": "YHOMSAQMMFCVKI", "names": [ "methyl 4-(3-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-5-methylphenoxy)-2-hydroxy-6-methylbenzoate" ], "molecular_formula": "C23H28O10", "smiles": "COC(=O)c1c(C)cc(Oc2cc(C)cc(OC3OC(CO)C(OC)C(O)C3O)c2)cc1O", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0117941" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "PUHNSHIZDKMEGM-PFAUGDHASA-N": { "inchikey": "PUHNSHIZDKMEGM-PFAUGDHASA-N", "inchikey2D": "PUHNSHIZDKMEGM", "names": [ "(2s,3r,4r,5s,6r)-2-[3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol", "Cordyol A" ], "molecular_formula": "C21H26O8", "smiles": "CO[C@@H]1[C@@H](CO)O[C@@H](Oc2cc(C)cc(Oc3cc(C)cc(O)c3)c2)[C@H](O)[C@H]1O", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0104178", "npaid": "NPA011250" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "DHMPJEGFPQTNFX-UHFFFAOYSA-N": { "inchikey": "DHMPJEGFPQTNFX-UHFFFAOYSA-N", "inchikey2D": "DHMPJEGFPQTNFX", "names": [ "oosporein" ], "molecular_formula": "C14H10O8", "smiles": "CC1=C(O)C(=O)C(C2=C(O)C(=O)C(C)=C(O)C2=O)=C(O)C1=O", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0034871" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "KEMQGTRYUADPNZ-UHFFFAOYSA-N": { "inchikey": "KEMQGTRYUADPNZ-UHFFFAOYSA-N", "inchikey2D": "KEMQGTRYUADPNZ", "names": [ "heptadecanoic acid" ], "molecular_formula": "C17H34O2", "smiles": "CCCCCCCCCCCCCCCCC(=O)O", "species": [ "[query-hint] Cordyceps", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0136609" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "UVPLWQIDJSLMEL-JXSFLUKESA-N": { "inchikey": "UVPLWQIDJSLMEL-JXSFLUKESA-N", "inchikey2D": "UVPLWQIDJSLMEL", "names": [ "(6s,9s,12s,15s,18r,23as)-6,9,18-tribenzyl-12-[(2s)-butan-2-yl]-4,10,13-trihydroxy-2,8,17-trimethyl-15-(2-methylpropyl)-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosane-1,7,16,19-tetrone", "Cordyheptapeptide B" ], "molecular_formula": "C49H65N7O7", "smiles": "CC[C@H](C)[C@@H]1N=C(O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N=C(O)CN(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N=C1O", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0149390", "npaid": "NPA002379" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "KPWLCIMXGXBDGX-FUJGBLOQSA-N": { "inchikey": "KPWLCIMXGXBDGX-FUJGBLOQSA-N", "inchikey2D": "KPWLCIMXGXBDGX", "names": [ "n-[(1z,3e)-1,4-bis(3,4-dihydroxyphenyl)-3-[(hydroxymethylidene)amino]buta-1,3-dien-2-yl]carboximidic acid" ], "molecular_formula": "C18H16N2O6", "smiles": "OC=NC(=C\\c1ccc(O)c(O)c1)/C(=C\\c1ccc(O)c(O)c1)N=CO", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0106005" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "HMBMGHWBIGFCDL-UHFFFAOYSA-N": { "inchikey": "HMBMGHWBIGFCDL-UHFFFAOYSA-N", "inchikey2D": "HMBMGHWBIGFCDL", "names": [ "3,5-dihydroxy-7-methyl-2-(pent-1-en-1-yl)-7h-pyrano[2,3-c]pyrrol-4-one" ], "molecular_formula": "C13H15NO4", "smiles": "CCCC=Cc1oc2c(c(=O)c1O)C(O)=NC2C", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0189293" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "AAAGKEAEOHPDBS-UHFFFAOYSA-N": { "inchikey": "AAAGKEAEOHPDBS-UHFFFAOYSA-N", "inchikey2D": "AAAGKEAEOHPDBS", "names": [ "5-{4,10-dihydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl}-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4,7,10-triol" ], "molecular_formula": "C31H32O10", "smiles": "COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(O)cc46)COC(C)C5O)c2c1)C(O)C(C)OC3", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0060366" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "ZXPWAGZHBVVLJM-UHFFFAOYSA-N": { "inchikey": "ZXPWAGZHBVVLJM-UHFFFAOYSA-N", "inchikey2D": "ZXPWAGZHBVVLJM", "names": [ "6,18-dibenzyl-4,10,13-trihydroxy-9-[(4-hydroxyphenyl)methyl]-2,8,17-trimethyl-15-(2-methylpropyl)-12-(sec-butyl)-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosane-1,7,16,19-tetrone" ], "molecular_formula": "C49H65N7O8", "smiles": "CCC(C)C1N=C(O)C(Cc2ccc(O)cc2)N(C)C(=O)C(Cc2ccccc2)N=C(O)CN(C)C(=O)C2CCCN2C(=O)C(Cc2ccccc2)N(C)C(=O)C(CC(C)C)N=C1O", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0273643" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "VCKWCFFGRPFDLH-UHFFFAOYSA-N": { "inchikey": "VCKWCFFGRPFDLH-UHFFFAOYSA-N", "inchikey2D": "VCKWCFFGRPFDLH", "names": [ "4,7-dihydroxy-1h,3h-cyclohepta[c]furan-6-one", "Cordytropolone" ], "molecular_formula": "C9H8O4", "smiles": "O=c1cc(O)c2c(cc1O)COC2", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0148957", "npaid": "NPA000483" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "SCANZLMQCZBPCM-UHFFFAOYSA-N": { "inchikey": "SCANZLMQCZBPCM-UHFFFAOYSA-N", "inchikey2D": "SCANZLMQCZBPCM", "names": [ "6-{4,10-dihydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl}-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4,7,10-triol" ], "molecular_formula": "C31H32O10", "smiles": "COc1cc(OC)c2c(O)c3c(c(-c4c(O)cc(OC)c5c(O)c6c(cc45)C(O)C(C)OC6)c2c1)C(O)C(C)OC3", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0212087" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "JACPLNLRQCNGQJ-UHFFFAOYSA-N": { "inchikey": "JACPLNLRQCNGQJ-UHFFFAOYSA-N", "inchikey2D": "JACPLNLRQCNGQJ", "names": [ "4'-hydroxy-5'-(3-hydroxybutyl)-4-(5-methyloxolan-2-ylidene)-tetrahydrospiro[cyclopenta[b]furan-2,2'-oxolan]-5-one" ], "molecular_formula": "C19H28O6", "smiles": "CC(O)CCC1OC2(CC1O)CC1C(=C3CCC(C)O3)C(=O)CC1O2", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0030329" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "IBCGSBLAZKITEU-UHFFFAOYSA-N": { "inchikey": "IBCGSBLAZKITEU-UHFFFAOYSA-N", "inchikey2D": "IBCGSBLAZKITEU", "names": [ "7-[(4,5-dihydroxyhex-2-enoyl)oxy]-4-hydroxyoct-2-enoic acid" ], "molecular_formula": "C14H22O7", "smiles": "CC(CCC(O)C=CC(=O)O)OC(=O)C=CC(O)C(C)O", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0176210" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "UVPLWQIDJSLMEL-UHFFFAOYSA-N": { "inchikey": "UVPLWQIDJSLMEL-UHFFFAOYSA-N", "inchikey2D": "UVPLWQIDJSLMEL", "names": [ "6,9,18-tribenzyl-4,10,13-trihydroxy-2,8,17-trimethyl-15-(2-methylpropyl)-12-(sec-butyl)-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosane-1,7,16,19-tetrone" ], "molecular_formula": "C49H65N7O7", "smiles": "CCC(C)C1N=C(O)C(Cc2ccccc2)N(C)C(=O)C(Cc2ccccc2)N=C(O)CN(C)C(=O)C2CCCN2C(=O)C(Cc2ccccc2)N(C)C(=O)C(CC(C)C)N=C1O", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0158671" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "NSZUJVVKWIRXHM-UBPPXWMASA-N": { "inchikey": "NSZUJVVKWIRXHM-UBPPXWMASA-N", "inchikey2D": "NSZUJVVKWIRXHM", "names": [ "(6s,9s,12s,15s,18r,23as)-6,9,18-tribenzyl-12-[(2s)-butan-2-yl]-4,10,13,16-tetrahydroxy-2,8-dimethyl-15-(2-methylpropyl)-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosane-1,7,19-trione" ], "molecular_formula": "C48H63N7O7", "smiles": "CC[C@H](C)[C@@H]1N=C(O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N=C(O)CN(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N=C(O)[C@H](CC(C)C)N=C1O", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0009196" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "HMBMGHWBIGFCDL-AATRIKPKSA-N": { "inchikey": "HMBMGHWBIGFCDL-AATRIKPKSA-N", "inchikey2D": "HMBMGHWBIGFCDL", "names": [ "3,5-dihydroxy-7-methyl-2-[(1e)-pent-1-en-1-yl]-7h-pyrano[2,3-c]pyrrol-4-one", "Cordylactam" ], "molecular_formula": "C13H15NO4", "smiles": "CCC/C=C/c1oc2c(c(=O)c1O)C(O)=NC2C", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0067818", "npaid": "NPA001209" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "SCUIHYCLCWYXKC-UHFFFAOYSA-N": { "inchikey": "SCUIHYCLCWYXKC-UHFFFAOYSA-N", "inchikey2D": "SCUIHYCLCWYXKC", "names": [ "Cordyol C", "cordyol c" ], "molecular_formula": "C14H14O4", "smiles": "Cc1cc(O)cc(Oc2cc(C)cc(O)c2O)c1", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0032021", "npaid": "NPA010437" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "KPWLCIMXGXBDGX-GFIWHYBVSA-N": { "inchikey": "KPWLCIMXGXBDGX-GFIWHYBVSA-N", "inchikey2D": "KPWLCIMXGXBDGX", "names": [ "Cordyformamide", "n-[(1z,3z)-1,4-bis(3,4-dihydroxyphenyl)-3-[(hydroxymethylidene)amino]buta-1,3-dien-2-yl]carboximidic acid" ], "molecular_formula": "C18H16N2O6", "smiles": "OC=NC(=C\\c1ccc(O)c(O)c1)/C(=C/c1ccc(O)c(O)c1)N=CO", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0009665", "npaid": "NPA018824" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "OIRDTQYFTABQOQ-KQYNXXCUSA-N": { "inchikey": "OIRDTQYFTABQOQ-KQYNXXCUSA-N", "inchikey2D": "OIRDTQYFTABQOQ", "names": [ "adenosine" ], "molecular_formula": "C10H13N5O4", "smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "species": [ "[query-hint] Cordyceps", "[query-hint] Cordyceps sinensis", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Lactarius", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0014061" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Lactarius==Lactarius" ] }, "YHOMSAQMMFCVKI-MYRUNHTGSA-N": { "inchikey": "YHOMSAQMMFCVKI-MYRUNHTGSA-N", "inchikey2D": "YHOMSAQMMFCVKI", "names": [ "Cordyol B", "methyl 4-(3-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-5-methylphenoxy)-2-hydroxy-6-methylbenzoate" ], "molecular_formula": "C23H28O10", "smiles": "COC(=O)c1c(C)cc(Oc2cc(C)cc(O[C@@H]3O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]3O)c2)cc1O", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0022706", "npaid": "NPA013715" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "AAAGKEAEOHPDBS-SAAODOGCSA-N": { "inchikey": "AAAGKEAEOHPDBS-SAAODOGCSA-N", "inchikey2D": "AAAGKEAEOHPDBS", "names": [ "(3s,4s)-5-[(3s,4s)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4,7,10-triol", "6'-O-desmethyl ES-242-4" ], "molecular_formula": "C31H32O10", "smiles": "COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(O)cc46)CO[C@@H](C)[C@H]5O)c2c1)[C@H](O)[C@H](C)OC3", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0109321", "npaid": "NPA016086" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "ZZIKIHCNFWXKDY-FMIVXFBMSA-N": { "inchikey": "ZZIKIHCNFWXKDY-FMIVXFBMSA-N", "inchikey2D": "ZZIKIHCNFWXKDY", "names": [ "myriocin" ], "molecular_formula": "C21H39NO6", "smiles": "CCCCCCC(=O)CCCCCC/C=C/CC(O)C(O)C(N)(CO)C(=O)O", "species": [ "[query-hint] Cordyceps", "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0238217" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "SCANZLMQCZBPCM-SAAODOGCSA-N": { "inchikey": "SCANZLMQCZBPCM-SAAODOGCSA-N", "inchikey2D": "SCANZLMQCZBPCM", "names": [ "(3s,4s)-6-[(3s,4s)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4,7,10-triol", "Not named" ], "molecular_formula": "C31H32O10", "smiles": "COc1cc(OC)c2c(O)c3c(c(-c4c(O)cc(OC)c5c(O)c6c(cc45)[C@H](O)[C@H](C)OC6)c2c1)[C@H](O)[C@H](C)OC3", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0210963", "npaid": "NPA008466" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "QIQXTHQIDYTFRH-UHFFFAOYSA-N": { "inchikey": "QIQXTHQIDYTFRH-UHFFFAOYSA-N", "inchikey2D": "QIQXTHQIDYTFRH", "names": [ "stearic acid" ], "molecular_formula": "C18H36O2", "smiles": "CCCCCCCCCCCCCCCCCC(=O)O", "species": [ "[query-hint] Cordyceps", "[query-hint] Cordyceps sinensis", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Lactarius", "[query-hint] Ophiocordyceps", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus", "[query-hint] Russula", "[query-hint] Yarrowia lipolytica" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0237766" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GEYHLUSXSLMSRF-GRHZFMAYSA-N": { "inchikey": "GEYHLUSXSLMSRF-GRHZFMAYSA-N", "inchikey2D": "GEYHLUSXSLMSRF", "names": [ "(3s,4s)-5-[(3s,4s)-4-(acetyloxy)-7,10-dihydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4-yl acetate", "6′-O-desmethyl ES-242-2" ], "molecular_formula": "C35H36O12", "smiles": "COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(O)cc46)CO[C@@H](C)[C@H]5OC(C)=O)c2c1)[C@H](OC(C)=O)[C@H](C)OC3", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0020634", "npaid": "NPA014981" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps==Cordyceps" ] }, "KPWLCIMXGXBDGX-UHFFFAOYSA-N": { "inchikey": "KPWLCIMXGXBDGX-UHFFFAOYSA-N", "inchikey2D": "KPWLCIMXGXBDGX", "names": [ "n-[1,4-bis(3,4-dihydroxyphenyl)-3-[(hydroxymethylidene)amino]buta-1,3-dien-2-yl]carboximidic acid" ], "molecular_formula": "C18H16N2O6", "smiles": "OC=NC(=Cc1ccc(O)c(O)c1)C(=Cc1ccc(O)c(O)c1)N=CO", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0117265" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "OQZUUUBOQWBAEX-WAYWQWQTSA-N": { "inchikey": "OQZUUUBOQWBAEX-WAYWQWQTSA-N", "inchikey2D": "OQZUUUBOQWBAEX", "names": [ "(z)-3',5,5',6'-tetrahydroxy-4,4'-dimethyl-[1,1'-bi(cyclohexylidene)]-3',4,5'-triene-2,2',3,6-tetrone" ], "molecular_formula": "C14H10O8", "smiles": "CC1=C(O)C(=O)/C(=C2/C(=O)C(O)=C(C)C(O)=C2O)C(=O)C1=O", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0224816" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "PUHNSHIZDKMEGM-UHFFFAOYSA-N": { "inchikey": "PUHNSHIZDKMEGM-UHFFFAOYSA-N", "inchikey2D": "PUHNSHIZDKMEGM", "names": [ "2-[3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol" ], "molecular_formula": "C21H26O8", "smiles": "COC1C(CO)OC(Oc2cc(C)cc(Oc3cc(C)cc(O)c3)c2)C(O)C1O", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0115371" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "GWWZRNBLQTXNPF-UHFFFAOYSA-N": { "inchikey": "GWWZRNBLQTXNPF-UHFFFAOYSA-N", "inchikey2D": "GWWZRNBLQTXNPF", "names": [ "9-benzyl-5,8,11-trihydroxy-6-methyl-3-(2-methylpropyl)-13-(octan-2-yl)-1-oxa-4,7,10-triazacyclotrideca-4,7,10-trien-2-one" ], "molecular_formula": "C29H45N3O5", "smiles": "CCCCCCC(C)C1CC(O)=NC(Cc2ccccc2)C(O)=NC(C)C(O)=NC(CC(C)C)C(=O)O1", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0124240" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "LJKNHIBJQYSBGK-RDJNMBGDSA-N": { "inchikey": "LJKNHIBJQYSBGK-RDJNMBGDSA-N", "inchikey2D": "LJKNHIBJQYSBGK", "names": [ "(3r,6s,9s,13r)-9-benzyl-3-[(2r)-butan-2-yl]-5,8,11-trihydroxy-6-methyl-13-[(2s)-octan-2-yl]-1-oxa-4,7,10-triazacyclotrideca-4,7,10-trien-2-one" ], "molecular_formula": "C29H45N3O5", "smiles": "CCCCCC[C@H](C)[C@H]1CC(O)=N[C@@H](Cc2ccccc2)C(O)=N[C@@H](C)C(O)=N[C@H]([C@H](C)CC)C(=O)O1", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0068430" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "GWWZRNBLQTXNPF-LYIXCCSJSA-N": { "inchikey": "GWWZRNBLQTXNPF-LYIXCCSJSA-N", "inchikey2D": "GWWZRNBLQTXNPF", "names": [ "(3r,6s,9s,13r)-9-benzyl-5,8,11-trihydroxy-6-methyl-3-(2-methylpropyl)-13-[(2s)-octan-2-yl]-1-oxa-4,7,10-triazacyclotrideca-4,7,10-trien-2-one" ], "molecular_formula": "C29H45N3O5", "smiles": "CCCCCC[C@H](C)[C@H]1CC(O)=N[C@@H](Cc2ccccc2)C(O)=N[C@@H](C)C(O)=N[C@H](CC(C)C)C(=O)O1", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0095711" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "LJKNHIBJQYSBGK-UHFFFAOYSA-N": { "inchikey": "LJKNHIBJQYSBGK-UHFFFAOYSA-N", "inchikey2D": "LJKNHIBJQYSBGK", "names": [ "9-benzyl-5,8,11-trihydroxy-6-methyl-13-(octan-2-yl)-3-(sec-butyl)-1-oxa-4,7,10-triazacyclotrideca-4,7,10-trien-2-one" ], "molecular_formula": "C29H45N3O5", "smiles": "CCCCCCC(C)C1CC(O)=NC(Cc2ccccc2)C(O)=NC(C)C(O)=NC(C(C)CC)C(=O)O1", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0129898" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "MYXIFLYRMXDIQX-TVHINYTQSA-N": { "inchikey": "MYXIFLYRMXDIQX-TVHINYTQSA-N", "inchikey2D": "MYXIFLYRMXDIQX", "names": [ "1-hydroxy-3-[(2e,4e,6e,8e,10r,12r)-1-hydroxy-2,8,10,12-tetramethyltetradeca-2,4,6,8-tetraen-1-ylidene]-5-(4-hydroxyphenyl)pyridine-2,4-dione" ], "molecular_formula": "C29H35NO5", "smiles": "CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C=C(\\C)C(O)=C1C(=O)C(c2ccc(O)cc2)=CN(O)C1=O", "species": [ "[query-hint] Cordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0229541" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps" ] }, "HCXVJBMSMIARIN-PHZDYDNGSA-N": { "inchikey": "HCXVJBMSMIARIN-PHZDYDNGSA-N", "inchikey2D": "HCXVJBMSMIARIN", "names": [ "phytosterol" ], "molecular_formula": "C29H48O", "smiles": "CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps", "[query-hint] Saccharomyces cerevisiae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0029311" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae" ] }, "PUGBZUWUTZUUCP-UHFFFAOYSA-N": { "inchikey": "PUGBZUWUTZUUCP-UHFFFAOYSA-N", "inchikey2D": "PUGBZUWUTZUUCP", "names": [ "fungisterol" ], "molecular_formula": "C28H48O", "smiles": "CC(C)C(C)CCC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21C", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ophiocordyceps", "[query-hint] Polyporus", "[query-hint] Yarrowia lipolytica" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0020786" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Polyporus==Polyporus" ] }, "YQUVCSBJEUQKSH-UHFFFAOYSA-N": { "inchikey": "YQUVCSBJEUQKSH-UHFFFAOYSA-N", "inchikey2D": "YQUVCSBJEUQKSH", "names": [ "3,4-dihydroxybenzoic acid" ], "molecular_formula": "C7H6O4", "smiles": "O=C(O)c1ccc(O)c(O)c1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus", "[query-hint] Ophiocordyceps", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0018765" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Phellinus==Phellinus" ] }, "WKOLLVMJNQIZCI-UHFFFAOYSA-N": { "inchikey": "WKOLLVMJNQIZCI-UHFFFAOYSA-N", "inchikey2D": "WKOLLVMJNQIZCI", "names": [ "vanillic acid" ], "molecular_formula": "C8H8O4", "smiles": "COc1cc(C(=O)O)ccc1O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0229113" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "FJKROLUGYXJWQN-UHFFFAOYSA-N": { "inchikey": "FJKROLUGYXJWQN-UHFFFAOYSA-N", "inchikey2D": "FJKROLUGYXJWQN", "names": [ "p-hydroxybenzoic acid" ], "molecular_formula": "C7H6O3", "smiles": "O=C(O)c1ccc(O)cc1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0263634" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "HVYWMOMLDIMFJA-DPAQBDIFSA-N": { "inchikey": "HVYWMOMLDIMFJA-DPAQBDIFSA-N", "inchikey2D": "HVYWMOMLDIMFJA", "names": [ "cholesterol" ], "molecular_formula": "C27H46O", "smiles": "CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps", "[query-hint] Saccharomyces cerevisiae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0102304" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae" ] }, "TXFPEBPIARQUIG-UHFFFAOYSA-N": { "inchikey": "TXFPEBPIARQUIG-UHFFFAOYSA-N", "inchikey2D": "TXFPEBPIARQUIG", "names": [ "hydroxyacetophenone" ], "molecular_formula": "C8H8O2", "smiles": "CC(=O)c1ccc(O)cc1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0214036" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "JMSVCTWVEWCHDZ-UHFFFAOYSA-N": { "inchikey": "JMSVCTWVEWCHDZ-UHFFFAOYSA-N", "inchikey2D": "JMSVCTWVEWCHDZ", "names": [ "syringic acid" ], "molecular_formula": "C9H10O5", "smiles": "COc1cc(C(=O)O)cc(OC)c1O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus", "[query-hint] Ophiocordyceps", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0210036" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Phellinus==Phellinus" ] }, "KDYFGRWQOYBRFD-UHFFFAOYSA-N": { "inchikey": "KDYFGRWQOYBRFD-UHFFFAOYSA-N", "inchikey2D": "KDYFGRWQOYBRFD", "names": [ "succinic acid" ], "molecular_formula": "C4H6O4", "smiles": "O=C(O)CCC(=O)O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Lentinula", "[query-hint] Ophiocordyceps", "[query-hint] Phellinus", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0237204" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Lentinula==Lentinula", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Phellinus==Phellinus", "INCLUDE:Pleurotus==Pleurotus" ] }, "SGNBVLSWZMBQTH-SSKRYHHQSA-N": { "inchikey": "SGNBVLSWZMBQTH-SSKRYHHQSA-N", "inchikey2D": "SGNBVLSWZMBQTH", "names": [ "(1r,3as,3bs,7s,9bs)-1-[(2r,5r)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C28H48O", "smiles": "CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CCC4(C)[C@H]3CCC21C", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps", "[query-hint] Saccharomyces cerevisiae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0057877" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae" ] }, "SGNBVLSWZMBQTH-UHFFFAOYSA-N": { "inchikey": "SGNBVLSWZMBQTH-UHFFFAOYSA-N", "inchikey2D": "SGNBVLSWZMBQTH", "names": [ "campesterol" ], "molecular_formula": "C28H48O", "smiles": "CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps", "[query-hint] Saccharomyces cerevisiae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0046755" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae" ] }, "UBORTCNDUKBEOP-UUOKFMHZSA-N": { "inchikey": "UBORTCNDUKBEOP-UUOKFMHZSA-N", "inchikey2D": "UBORTCNDUKBEOP", "names": [ "xanthosine" ], "molecular_formula": "C10H12N4O6", "smiles": "OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0192214" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "ISAKRJDGNUQOIC-UHFFFAOYSA-N": { "inchikey": "ISAKRJDGNUQOIC-UHFFFAOYSA-N", "inchikey2D": "ISAKRJDGNUQOIC", "names": [ "pirod" ], "molecular_formula": "C4H4N2O2", "smiles": "Oc1ccnc(O)n1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0008205" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "PVNIIMVLHYAWGP-UHFFFAOYSA-N": { "inchikey": "PVNIIMVLHYAWGP-UHFFFAOYSA-N", "inchikey2D": "PVNIIMVLHYAWGP", "names": [ "niacin" ], "molecular_formula": "C6H5NO2", "smiles": "O=C(O)c1cccnc1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps", "[query-hint] Pleurotus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0216673" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Pleurotus==Pleurotus" ] }, "KVMYKLHJBYIOKD-UHFFFAOYSA-N": { "inchikey": "KVMYKLHJBYIOKD-UHFFFAOYSA-N", "inchikey2D": "KVMYKLHJBYIOKD", "names": [ "15-(5,6-dimethylhept-3-en-2-yl)-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-10-en-5-ol" ], "molecular_formula": "C28H44O2", "smiles": "CC(C)C(C)C=CC(C)C1CCC2C3=CC4OC45CC(O)CCC5(C)C3CCC21C", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0134946" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "FPUGCISOLXNPPC-UHFFFAOYSA-N": { "inchikey": "FPUGCISOLXNPPC-UHFFFAOYSA-N", "inchikey2D": "FPUGCISOLXNPPC", "names": [ "2-o-methyladenosine" ], "molecular_formula": "C11H15N5O4", "smiles": "COC1C(O)C(CO)OC1n1cnc2c(N)ncnc21", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0118558" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "NEJWXPXNRWSCLT-UHFFFAOYSA-N": { "inchikey": "NEJWXPXNRWSCLT-UHFFFAOYSA-N", "inchikey2D": "NEJWXPXNRWSCLT", "names": [ "n-[1-(acetyloxy)-3-phenylpropan-2-yl]-2-{[hydroxy(phenyl)methylidene]amino}-3-(4-hydroxyphenyl)propanimidic acid" ], "molecular_formula": "C27H28N2O5", "smiles": "CC(=O)OCC(Cc1ccccc1)N=C(O)C(Cc1ccc(O)cc1)N=C(O)c1ccccc1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0121183" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "HDEHHRCCINCEED-MJXKWBMFSA-N": { "inchikey": "HDEHHRCCINCEED-MJXKWBMFSA-N", "inchikey2D": "HDEHHRCCINCEED", "names": [ "(1s,4r,5s,6s,8s,9s,11s,14r,15s,18s,22s)-5,8,22-trihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,12,16-trione" ], "molecular_formula": "C18H20N2O6S3", "smiles": "O=C1C[C@@H]2SS[C@]34C[C@H]1[C@H]([C@@H]2O)N3C(=O)[C@]12C[C@@H]3[C@@H](O)C[C@H](S1)[C@@H](O)[C@@H]3N2C4=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0132947" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "QZBUWPVZSXDWSB-UHFFFAOYSA-N": { "inchikey": "QZBUWPVZSXDWSB-UHFFFAOYSA-N", "inchikey2D": "QZBUWPVZSXDWSB", "names": [ "3-benzyl-1-hydroxy-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one" ], "molecular_formula": "C14H16N2O2", "smiles": "O=C1C(Cc2ccccc2)N=C(O)C2CCCN12", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0215734" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "YIXDEYPPAGPYDP-IUYQGCFVSA-N": { "inchikey": "YIXDEYPPAGPYDP-IUYQGCFVSA-N", "inchikey2D": "YIXDEYPPAGPYDP", "names": [ "deoxyribonolactone" ], "molecular_formula": "C5H8O4", "smiles": "O=C1C[C@H](O)[C@@H](CO)O1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0075306" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "JPUPMIVLDVVGIE-UHFFFAOYSA-N": { "inchikey": "JPUPMIVLDVVGIE-UHFFFAOYSA-N", "inchikey2D": "JPUPMIVLDVVGIE", "names": [ "22,24-dihydroxy-9,10,19,20-tetrathia-3,13-diazaheptacyclo[13.5.1.1⁴,⁸.1⁵,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹]tetracosane-2,6,12,16-tetrone" ], "molecular_formula": "C18H18N2O6S4", "smiles": "O=C1CC2SSC34CC1C(C2O)N3C(=O)C12CC3C(=O)CC(SS1)C(O)C3N2C4=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0215334" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "GKXWQOGSNJJLKJ-QMMMGPOBSA-N": { "inchikey": "GKXWQOGSNJJLKJ-QMMMGPOBSA-N", "inchikey2D": "GKXWQOGSNJJLKJ", "names": [ "cordysinin c" ], "molecular_formula": "C13H12N2O", "smiles": "C[C@H](O)c1nccc2c1[nH]c1ccccc12", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0095343" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "QZBUWPVZSXDWSB-RYUDHWBXSA-N": { "inchikey": "QZBUWPVZSXDWSB-RYUDHWBXSA-N", "inchikey2D": "QZBUWPVZSXDWSB", "names": [ "cyclo(l-phe-l-pro)" ], "molecular_formula": "C14H16N2O2", "smiles": "O=C1[C@H](Cc2ccccc2)N=C(O)[C@@H]2CCCN12", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0211960" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "RWQNBRDOKXIBIV-UHFFFAOYSA-N": { "inchikey": "RWQNBRDOKXIBIV-UHFFFAOYSA-N", "inchikey2D": "RWQNBRDOKXIBIV", "names": [ "5-methylpyrimidine-2,4-dione" ], "molecular_formula": "C5H6N2O2", "smiles": "Cc1cnc(O)nc1O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0084111" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "FZVZQZDYZWKKHU-UHFFFAOYSA-N": { "inchikey": "FZVZQZDYZWKKHU-UHFFFAOYSA-N", "inchikey2D": "FZVZQZDYZWKKHU", "names": [ "5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosane-2,8,12,18-tetrone" ], "molecular_formula": "C20H26N2O6S2", "smiles": "CSC12CC3C(=O)CCC(O)C3N1C(=O)C1(SC)CC3C(=O)CCC(O)C3N1C2=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0125936" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "ZEYHEAKUIGZSGI-UHFFFAOYSA-N": { "inchikey": "ZEYHEAKUIGZSGI-UHFFFAOYSA-N", "inchikey2D": "ZEYHEAKUIGZSGI", "names": [ "p-anisic acid" ], "molecular_formula": "C8H8O3", "smiles": "COc1ccc(C(=O)O)cc1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0123492" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "NJWNOPZHMZOOOQ-KOZOFSAYSA-N": { "inchikey": "NJWNOPZHMZOOOQ-KOZOFSAYSA-N", "inchikey2D": "NJWNOPZHMZOOOQ", "names": [ "(1s,2r,5s,7r,9s,11s,12s,15r,16r)-15-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-5-ol", 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"toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "PBWOIPCULUXTNY-LBKBYZTLSA-N": { "inchikey": "PBWOIPCULUXTNY-LBKBYZTLSA-N", "inchikey2D": "PBWOIPCULUXTNY", "names": [ "β-sitosteryl acetate" ], "molecular_formula": "C31H52O2", "smiles": "CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0098695" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "GKXWQOGSNJJLKJ-UHFFFAOYSA-N": { "inchikey": "GKXWQOGSNJJLKJ-UHFFFAOYSA-N", "inchikey2D": "GKXWQOGSNJJLKJ", "names": [ "1-{9h-pyrido[3,4-b]indol-1-yl}ethanol" ], "molecular_formula": "C13H12N2O", "smiles": "CC(O)c1nccc2c1[nH]c1ccccc12", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0142011" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "DFPAKSUCGFBDDF-UHFFFAOYSA-N": { "inchikey": "DFPAKSUCGFBDDF-UHFFFAOYSA-N", "inchikey2D": "DFPAKSUCGFBDDF", "names": [ "vitamin b>3<" ], "molecular_formula": "C6H6N2O", "smiles": "N=C(O)c1cccnc1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Lactarius", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0028908" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Lactarius==Lactarius", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "UQQIPIPADMCILH-MUBYSKIDSA-N": { "inchikey": "UQQIPIPADMCILH-MUBYSKIDSA-N", "inchikey2D": "UQQIPIPADMCILH", "names": [ 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"INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "FCFUSYHGZLEMJM-UHFFFAOYSA-N": { "inchikey": "FCFUSYHGZLEMJM-UHFFFAOYSA-N", "inchikey2D": "FCFUSYHGZLEMJM", "names": [ "6-(5,6-dimethylhept-3-en-2-yl)-3a-methoxy-5a-methyl-4h,5h,6h,7h,8h,8ah-indeno[5,4-b]furan-2-one" ], "molecular_formula": "C22H34O3", "smiles": "COC12CCC3(C)C(CCC3C(C)C=CC(C)C(C)C)C1=CC(=O)O2", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Lactarius", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0039481" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Lactarius==Lactarius", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "PUGBZUWUTZUUCP-ZRKHGVCBSA-N": { "inchikey": "PUGBZUWUTZUUCP-ZRKHGVCBSA-N", "inchikey2D": "PUGBZUWUTZUUCP", "names": [ "fungisterol" ], "molecular_formula": "C28H48O", "smiles": "CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ganoderma", "[query-hint] Ophiocordyceps", "[query-hint] Polyporus", "[query-hint] Saccharomyces cerevisiae", "[query-hint] Yarrowia lipolytica" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0111120" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Polyporus==Polyporus", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae" ] }, "SPLIJUQASWTCRI-UHFFFAOYSA-N": { "inchikey": "SPLIJUQASWTCRI-UHFFFAOYSA-N", "inchikey2D": "SPLIJUQASWTCRI", "names": [ "5,6,22-trihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁷,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone" ], "molecular_formula": "C18H18N2O7S3", "smiles": "O=C1CC2SSC34CC1C(C2O)N3C(=O)C12CC3C(=O)C(S1)C(O)C(O)C3N2C4=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0167482" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "GNSVVPUGXHFCMA-BQGMYUGNSA-N": { "inchikey": "GNSVVPUGXHFCMA-BQGMYUGNSA-N", "inchikey2D": "GNSVVPUGXHFCMA", "names": [ "(3s,6z)-3-benzyl-5-hydroxy-6-[(4-hydroxyphenyl)methylidene]-1-methyl-3h-pyrazin-2-one" ], "molecular_formula": "C19H18N2O3", "smiles": "CN1C(=O)[C@H](Cc2ccccc2)N=C(O)/C1=C/c1ccc(O)cc1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0096787" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "FDGQSTZJBFJUBT-UHFFFAOYSA-N": { "inchikey": "FDGQSTZJBFJUBT-UHFFFAOYSA-N", "inchikey2D": "FDGQSTZJBFJUBT", "names": [ "9h-purin-6-ol" ], "molecular_formula": "C5H4N4O", "smiles": "Oc1ncnc2[nH]cnc12", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0054320" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "NJWNOPZHMZOOOQ-UHFFFAOYSA-N": { "inchikey": "NJWNOPZHMZOOOQ-UHFFFAOYSA-N", "inchikey2D": "NJWNOPZHMZOOOQ", "names": [ "15-(5,6-dimethylhept-3-en-2-yl)-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-5-ol" ], "molecular_formula": "C28H46O2", "smiles": "CC(C)C(C)C=CC(C)C1CCC2C3CC4OC45CC(O)CCC5(C)C3CCC12C", "species": [ "[query-hint] Cordyceps 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"n-[1-(acetyloxy)-3-(4-hydroxyphenyl)propan-2-yl]-2-{[hydroxy(phenyl)methylidene]amino}-3-(4-hydroxyphenyl)propanimidic acid" ], "molecular_formula": "C27H28N2O6", "smiles": "CC(=O)OCC(Cc1ccc(O)cc1)N=C(O)C(Cc1ccc(O)cc1)N=C(O)c1ccccc1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0049737" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "KVMYKLHJBYIOKD-GZLALSSBSA-N": { "inchikey": "KVMYKLHJBYIOKD-GZLALSSBSA-N", "inchikey2D": "KVMYKLHJBYIOKD", "names": [ "(1s,2r,5s,7r,9s,12s,15r,16r)-15-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-10-en-5-ol" ], "molecular_formula": "C28H44O2", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Cordyceps 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"CC(=O)c1nccc2c1[nH]c1ccccc12", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0104209" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "OXXDGKNPRNPMLS-UHFFFAOYSA-N": { "inchikey": "OXXDGKNPRNPMLS-UHFFFAOYSA-N", "inchikey2D": "OXXDGKNPRNPMLS", "names": [ "2-hydroxy-3-methylpyran-4-one" ], "molecular_formula": "C6H6O3", "smiles": "Cc1c(O)occc1=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0088314" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "RQFCJASXJCIDSX-UUOKFMHZSA-N": { "inchikey": "RQFCJASXJCIDSX-UUOKFMHZSA-N", "inchikey2D": "RQFCJASXJCIDSX", "names": [ 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[ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0130369", "npaid": "NPA027886" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "FZVZQZDYZWKKHU-RIJSRGPQSA-N": { "inchikey": "FZVZQZDYZWKKHU-RIJSRGPQSA-N", "inchikey2D": "FZVZQZDYZWKKHU", "names": [ "epicoccin g" ], "molecular_formula": "C20H26N2O6S2", "smiles": "CS[C@@]12C[C@H]3C(=O)CC[C@H](O)[C@H]3N1C(=O)[C@]1(SC)C[C@H]3C(=O)CC[C@H](O)[C@H]3N1C2=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0134165" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "SGNBVLSWZMBQTH-ZRUUVFCLSA-N": { "inchikey": "SGNBVLSWZMBQTH-ZRUUVFCLSA-N", 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"toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "XLUAWXQORJEMBD-UHFFFAOYSA-N": { "inchikey": "XLUAWXQORJEMBD-UHFFFAOYSA-N", "inchikey2D": "XLUAWXQORJEMBD", "names": [ "1-hydroxy-3-isopropyl-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one" ], "molecular_formula": "C10H16N2O2", "smiles": "CC(C)C1N=C(O)C2CCCN2C1=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0147353" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "XBCXJKGHPABGSD-UHFFFAOYSA-N": { "inchikey": "XBCXJKGHPABGSD-UHFFFAOYSA-N", "inchikey2D": "XBCXJKGHPABGSD", "names": [ "4-hydroxy-1-methylpyrimidin-2-one" ], "molecular_formula": "C5H6N2O2", "smiles": "Cn1ccc(O)nc1=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0146093" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "XPCTZQVDEJYUGT-UHFFFAOYSA-N": { "inchikey": "XPCTZQVDEJYUGT-UHFFFAOYSA-N", "inchikey2D": "XPCTZQVDEJYUGT", "names": [ "talmon" ], "molecular_formula": "C6H6O3", "smiles": "Cc1occc(=O)c1O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0152081" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "USBWYUYKHHILLZ-UHFFFAOYSA-N": { "inchikey": "USBWYUYKHHILLZ-UHFFFAOYSA-N", "inchikey2D": "USBWYUYKHHILLZ", "names": [ "flazin" ], "molecular_formula": "C17H12N2O4", "smiles": "O=C(O)c1cc2c([nH]c3ccccc32)c(-c2ccc(CO)o2)n1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0143048" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "CKJZKFPVVUQBMB-AOHVSNAWSA-N": { "inchikey": "CKJZKFPVVUQBMB-AOHVSNAWSA-N", "inchikey2D": "CKJZKFPVVUQBMB", "names": [ "2-{[(1r,5r,6r,10r,13s,15r)-5-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol", "5α,8α-epidioxy-24(R)-methylcholesta-6,22-dien-3β-d-glucopyranoside" ], "molecular_formula": "C34H54O8", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2[C@]34C=C[C@@]5(C[C@@H](OC6OC(CO)C(O)C(O)C6O)CC[C@]5(C)C3CC[C@@]21C)OO4", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0142522", "npaid": "NPA006344" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "XLUAWXQORJEMBD-YUMQZZPRSA-N": { "inchikey": "XLUAWXQORJEMBD-YUMQZZPRSA-N", "inchikey2D": "XLUAWXQORJEMBD", "names": [ "(3s,8as)-1-hydroxy-3-isopropyl-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one" ], "molecular_formula": "C10H16N2O2", "smiles": "CC(C)[C@@H]1N=C(O)[C@@H]2CCCN2C1=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0087382" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "VOCXDRSORWGXMU-AGBBTXFXSA-N": { "inchikey": "VOCXDRSORWGXMU-AGBBTXFXSA-N", "inchikey2D": "VOCXDRSORWGXMU", "names": [ "(2r,3r,4s,5s,6r)-2-{[(1s,2r,5r,6r,9r,10r,13s,15r)-5-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadecan-13-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol" ], "molecular_formula": "C34H56O8", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0146024" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "NVJPRQASQAPOJJ-WSAVZUCRSA-N": { "inchikey": "NVJPRQASQAPOJJ-WSAVZUCRSA-N", "inchikey2D": "NVJPRQASQAPOJJ", "names": [ "2-methoxy-4-[(1e)-3-{[(6s,8r,11s,12s,15r,16r)-7,7,12,16-tetramethyl-15-[(2r)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}buta-1,3-dien-1-yl]phenol" ], "molecular_formula": "C41H60O3", "smiles": "C=C(/C=C/c1ccc(O)c(OC)c1)O[C@H]1CCC23CC24CC[C@]2(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0161434" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "XQXPVVBIMDBYFF-UHFFFAOYSA-N": { "inchikey": "XQXPVVBIMDBYFF-UHFFFAOYSA-N", "inchikey2D": "XQXPVVBIMDBYFF", "names": [ "4-hydroxyphenylacetic acid" ], "molecular_formula": "C8H8O3", "smiles": "O=C(O)Cc1ccc(O)cc1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0272177" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "IOYHCQBYQJQBSK-UHFFFAOYSA-N": { "inchikey": "IOYHCQBYQJQBSK-UHFFFAOYSA-N", "inchikey2D": "IOYHCQBYQJQBSK", "names": [ "quercitin" ], "molecular_formula": "C15H10O6", "smiles": "O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)cc(O)c12", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0111889" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "UMHZOKZJSDUHIU-HKBOAZHASA-N": { "inchikey": "UMHZOKZJSDUHIU-HKBOAZHASA-N", "inchikey2D": "UMHZOKZJSDUHIU", "names": [ "(2s,3r,5s)-2-(hydroxymethyl)-5-[4-(phenanthren-9-yl)-1,2,3-triazol-1-yl]oxolan-3-ol" ], "molecular_formula": "C21H19N3O3", "smiles": "OC[C@@H]1O[C@H](n2cc(-c3cc4ccccc4c4ccccc34)nn2)C[C@H]1O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0212979" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "IQFYYKKMVGJFEH-XLPZGREQSA-N": { "inchikey": "IQFYYKKMVGJFEH-XLPZGREQSA-N", "inchikey2D": "IQFYYKKMVGJFEH", "names": [ "thymidine" ], "molecular_formula": "C10H14N2O5", "smiles": "Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0162810" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "HPHCHBVVCGFPNC-XHNCKOQMSA-N": { "inchikey": "HPHCHBVVCGFPNC-XHNCKOQMSA-N", "inchikey2D": "HPHCHBVVCGFPNC", "names": [ "(3s,6r,8as)-1,6-dihydroxy-3-(2-methylpropyl)-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one" ], "molecular_formula": "C11H18N2O3", "smiles": "CC(C)C[C@@H]1N=C(O)[C@@H]2CC[C@@H](O)N2C1=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0240204" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "KIFUAYSXLVXNEJ-UHFFFAOYSA-N": { "inchikey": "KIFUAYSXLVXNEJ-UHFFFAOYSA-N", "inchikey2D": "KIFUAYSXLVXNEJ", "names": [ "5,6,15,16-tetrahydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosane-2,8,12,18-tetrone" ], "molecular_formula": "C20H26N2O8S2", "smiles": "CSC12CC3C(=O)CC(O)C(O)C3N1C(=O)C1(SC)CC3C(=O)CC(O)C(O)C3N1C2=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0257330" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "VOCXDRSORWGXMU-UHFFFAOYSA-N": { "inchikey": "VOCXDRSORWGXMU-UHFFFAOYSA-N", "inchikey2D": "VOCXDRSORWGXMU", "names": [ "2-{[5-(5,6-dimethylhept-3-en-2-yl)-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadecan-13-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol" ], "molecular_formula": "C34H56O8", "smiles": "CC(C)C(C)C=CC(C)C1CCC2C1(C)CCC1C23CCC2(CC(OC4OC(CO)C(O)C(O)C4O)CCC12C)OO3", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0131160" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "VZPAURMDJZOGHU-UHFFFAOYSA-N": { "inchikey": "VZPAURMDJZOGHU-UHFFFAOYSA-N", "inchikey2D": "VZPAURMDJZOGHU", "names": [ "n-[1-(acetyloxy)-3-phenylpropan-2-yl]-2-{[hydroxy(phenyl)methylidene]amino}-3-phenylpropanimidic acid" ], "molecular_formula": "C27H28N2O4", "smiles": "CC(=O)OCC(Cc1ccccc1)N=C(O)C(Cc1ccccc1)N=C(O)c1ccccc1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0156307" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "LYDWCUQSOZRMRD-UHFFFAOYSA-N": { "inchikey": "LYDWCUQSOZRMRD-UHFFFAOYSA-N", "inchikey2D": "LYDWCUQSOZRMRD", "names": [ "2-[3,6-dihydroxy-5-(sec-butyl)-2,5-dihydropyrazin-2-yl]ethanimidic acid" ], "molecular_formula": "C10H17N3O3", "smiles": "CCC(C)C1N=C(O)C(CC(=N)O)N=C1O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0256568" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "GKXWQOGSNJJLKJ-MRVPVSSYSA-N": { "inchikey": "GKXWQOGSNJJLKJ-MRVPVSSYSA-N", "inchikey2D": "GKXWQOGSNJJLKJ", "names": [ "cordysinin d" ], "molecular_formula": "C13H12N2O", "smiles": "C[C@@H](O)c1nccc2c1[nH]c1ccccc12", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0183801" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "VZPAURMDJZOGHU-SKCDSABHSA-N": { "inchikey": "VZPAURMDJZOGHU-SKCDSABHSA-N", "inchikey2D": "VZPAURMDJZOGHU", "names": [ "n-[(2s)-1-(acetyloxy)-3-phenylpropan-2-yl]-2-{[hydroxy(phenyl)methylidene]amino}-3-phenylpropanimidic acid" ], "molecular_formula": "C27H28N2O4", "smiles": "CC(=O)OC[C@H](Cc1ccccc1)N=C(O)C(Cc1ccccc1)N=C(O)c1ccccc1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0163723" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "SPLIJUQASWTCRI-KZOHNSNHSA-N": { "inchikey": "SPLIJUQASWTCRI-KZOHNSNHSA-N", "inchikey2D": "SPLIJUQASWTCRI", "names": [ "(1r,4s,5r,6r,7s,9r,11r,14s,15r,18r,22r)-5,6,22-trihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁷,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone" ], "molecular_formula": "C18H18N2O7S3", "smiles": "O=C1C[C@H]2SS[C@@]34C[C@@H]1[C@@H]([C@H]2O)N3C(=O)[C@@]12C[C@H]3C(=O)[C@@H](S1)[C@H](O)[C@H](O)[C@H]3N2C4=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0126798" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "LJDVXKFQELACJA-DHLKQENFSA-N": { "inchikey": "LJDVXKFQELACJA-DHLKQENFSA-N", "inchikey2D": "LJDVXKFQELACJA", "names": [ "(2s)-n-[(2s)-1-(acetyloxy)-3-(4-hydroxyphenyl)propan-2-yl]-2-{[hydroxy(phenyl)methylidene]amino}-3-(4-hydroxyphenyl)propanimidic acid", "Cordyceamide B" ], "molecular_formula": "C27H28N2O6", "smiles": "CC(=O)OC[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)c1ccccc1", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0251504", "npaid": "NPA001253" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "KIFUAYSXLVXNEJ-ZHJPTRFQSA-N": { "inchikey": "KIFUAYSXLVXNEJ-ZHJPTRFQSA-N", "inchikey2D": "KIFUAYSXLVXNEJ", "names": [ "epicoccin h" ], "molecular_formula": "C20H26N2O8S2", "smiles": "CS[C@@]12C[C@H]3C(=O)C[C@H](O)[C@H](O)[C@H]3N1C(=O)[C@]1(SC)C[C@H]3C(=O)C[C@H](O)[C@H](O)[C@H]3N1C2=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0063887" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "DRTQHJPVMGBUCF-XVFCMESISA-N": { "inchikey": "DRTQHJPVMGBUCF-XVFCMESISA-N", "inchikey2D": "DRTQHJPVMGBUCF", "names": [ "uridine" ], "molecular_formula": "C9H12N2O6", "smiles": "O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ophiocordyceps", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0220125" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Phellinus==Phellinus" ] }, "MQSXZQXHIJMNAF-UHFFFAOYSA-N": { "inchikey": "MQSXZQXHIJMNAF-UHFFFAOYSA-N", "inchikey2D": "MQSXZQXHIJMNAF", "names": [ "skyrin" ], "molecular_formula": "C30H18O10", "smiles": "Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0063568" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "DXYUAIFZCFRPTH-UHFFFAOYSA-N": { "inchikey": "DXYUAIFZCFRPTH-UHFFFAOYSA-N", "inchikey2D": "DXYUAIFZCFRPTH", "names": [ "glycitein" ], "molecular_formula": "C16H12O5", "smiles": "COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0194715" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "VZUJNQMBOQHGKN-UHFFFAOYSA-N": { "inchikey": "VZUJNQMBOQHGKN-UHFFFAOYSA-N", "inchikey2D": "VZUJNQMBOQHGKN", "names": [ "5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone" ], "molecular_formula": "C18H18N2O6S3", "smiles": "O=C1CC2SSC34CC1C(C2O)N3C(=O)C12CC3C(=O)CC(S1)C(O)C3N2C4=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0263833" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "AZLMMOOHDUSWNU-RSXGOPAZSA-N": { "inchikey": "AZLMMOOHDUSWNU-RSXGOPAZSA-N", "inchikey2D": "AZLMMOOHDUSWNU", "names": [ "(2s)-n-[(2r)-3-(acetyloxy)-2-benzylpropyl]-2-{[hydroxy(phenyl)methylidene]amino}-3-phenylpropanimidic acid" ], "molecular_formula": "C28H30N2O4", "smiles": "CC(=O)OC[C@@H](CN=C(O)[C@H](Cc1ccccc1)N=C(O)c1ccccc1)Cc1ccccc1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0263202" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "NEJWXPXNRWSCLT-ZCYQVOJMSA-N": { "inchikey": "NEJWXPXNRWSCLT-ZCYQVOJMSA-N", "inchikey2D": "NEJWXPXNRWSCLT", "names": [ "(2s)-n-[(2s)-1-(acetyloxy)-3-phenylpropan-2-yl]-2-{[hydroxy(phenyl)methylidene]amino}-3-(4-hydroxyphenyl)propanimidic acid", "Cordyceamide A" ], "molecular_formula": "C27H28N2O5", "smiles": "CC(=O)OC[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)c1ccccc1", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0259609", "npaid": "NPA010706" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "KVMYKLHJBYIOKD-QYYFJRRUSA-N": { "inchikey": "KVMYKLHJBYIOKD-QYYFJRRUSA-N", "inchikey2D": "KVMYKLHJBYIOKD", "names": [ "(1s,2r,5s,7r,9s,12r,15r,16r)-15-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-10-en-5-ol" ], "molecular_formula": "C28H44O2", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0270848" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "FCFUSYHGZLEMJM-IIVOHCRVSA-N": { "inchikey": "FCFUSYHGZLEMJM-IIVOHCRVSA-N", "inchikey2D": "FCFUSYHGZLEMJM", "names": [ "(17r)-17-methylincisterol" ], "molecular_formula": "C22H34O3", "smiles": "CO[C@]12CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C1=CC(=O)O2", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Lactarius", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0036073" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Lactarius==Lactarius", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "LSGOTAXPWMCUCK-UHFFFAOYSA-N": { "inchikey": "LSGOTAXPWMCUCK-UHFFFAOYSA-N", "inchikey2D": "LSGOTAXPWMCUCK", "names": [ "1-hydroxy-3-[(4-hydroxyphenyl)methyl]-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one" ], "molecular_formula": "C14H16N2O3", "smiles": "O=C1C(Cc2ccc(O)cc2)N=C(O)C2CCCN12", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0078097" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "LYDWCUQSOZRMRD-HAFWLYHUSA-N": { "inchikey": "LYDWCUQSOZRMRD-HAFWLYHUSA-N", "inchikey2D": "LYDWCUQSOZRMRD", "names": [ "2-[(2s,5s)-5-[(2s)-butan-2-yl]-3,6-dihydroxy-2,5-dihydropyrazin-2-yl]ethanimidic acid", "Cordycedipeptide A" ], "molecular_formula": "C10H17N3O3", "smiles": "CC[C@H](C)[C@@H]1N=C(O)[C@H](CC(=N)O)N=C1O", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0216844", "npaid": "NPA011372" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "MKZPNGBJJJZJMI-UHFFFAOYSA-N": { "inchikey": "MKZPNGBJJJZJMI-UHFFFAOYSA-N", "inchikey2D": "MKZPNGBJJJZJMI", "names": [ "2-{[1-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol" ], "molecular_formula": "C34H54O6", "smiles": "CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0232905" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "QFDPVUTXKUGISP-UHFFFAOYSA-N": { "inchikey": "QFDPVUTXKUGISP-UHFFFAOYSA-N", "inchikey2D": "QFDPVUTXKUGISP", "names": [ "rugulosin" ], "molecular_formula": "C30H22O10", "smiles": "Cc1cc(O)c2c(c1)C(=O)C13C(=C2O)C(=O)C2C(O)C1C1C(O)C3C(=O)C3=C(O)c4c(O)cc(C)cc4C(=O)C321", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0216962" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "VZUJNQMBOQHGKN-DXOBHMFTSA-N": { "inchikey": "VZUJNQMBOQHGKN-DXOBHMFTSA-N", "inchikey2D": "VZUJNQMBOQHGKN", "names": [ "(1r,4s,5r,6r,9r,11r,14s,15r,18r,22r)-5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone" ], "molecular_formula": "C18H18N2O6S3", "smiles": "O=C1C[C@H]2SS[C@@]34C[C@@H]1[C@@H]([C@H]2O)N3C(=O)[C@@]12C[C@H]3C(=O)C[C@@H](S1)[C@H](O)[C@H]3N2C4=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0232998" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "CCJNSMAVIQYGNV-WZANBAKGSA-N": { "inchikey": "CCJNSMAVIQYGNV-WZANBAKGSA-N", "inchikey2D": "CCJNSMAVIQYGNV", "names": [ "(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[4'-methoxy-4-(4-methoxyphenyl)-[1,1'-biphenyl]-2,6-diyl]oxy}oxane-3,4,5-triol" ], "molecular_formula": "C26H28O10", "smiles": "COc1ccc(-c2cc(O)c(-c3ccc(OC)cc3)c(O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0033133" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "DFYRUELUNQRZTB-UHFFFAOYSA-N": { "inchikey": "DFYRUELUNQRZTB-UHFFFAOYSA-N", "inchikey2D": "DFYRUELUNQRZTB", "names": [ "apocynin" ], "molecular_formula": "C9H10O3", "smiles": "COc1cc(C(C)=O)ccc1O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0211279" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "VZUJNQMBOQHGKN-NTZNKOSHSA-N": { "inchikey": "VZUJNQMBOQHGKN-NTZNKOSHSA-N", "inchikey2D": "VZUJNQMBOQHGKN", "names": [ "(1s,4r,5s,6s,9s,11s,14r,15s,18s,22s)-5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone" ], "molecular_formula": "C18H18N2O6S3", "smiles": "O=C1C[C@@H]2SS[C@]34C[C@H]1[C@H]([C@@H]2O)N3C(=O)[C@]12C[C@@H]3C(=O)C[C@H](S1)[C@@H](O)[C@@H]3N2C4=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0236315" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "XIQXUFYJMBDYSU-CIUDSAMLSA-N": { "inchikey": "XIQXUFYJMBDYSU-CIUDSAMLSA-N", "inchikey2D": "XIQXUFYJMBDYSU", "names": [ "(3s,6s)-3-[(2s)-butan-2-yl]-6-isopropyl-3,6-dihydropyrazine-2,5-diol" ], "molecular_formula": "C11H20N2O2", "smiles": "CC[C@H](C)[C@@H]1N=C(O)[C@H](C(C)C)N=C1O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0170031" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "FODTZLFLDFKIQH-FSVGXZBPSA-N": { "inchikey": "FODTZLFLDFKIQH-FSVGXZBPSA-N", "inchikey2D": "FODTZLFLDFKIQH", "names": [ "oryzanol a" ], "molecular_formula": "C40H58O4", "smiles": "COc1cc(/C=C/C(=O)O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)ccc1O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0199553" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "YIXDEYPPAGPYDP-UHFFFAOYSA-N": { "inchikey": "YIXDEYPPAGPYDP-UHFFFAOYSA-N", "inchikey2D": "YIXDEYPPAGPYDP", "names": [ "4-hydroxy-5-(hydroxymethyl)oxolan-2-one" ], "molecular_formula": "C5H8O4", "smiles": "O=C1CC(O)C(CO)O1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0167629" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "HDEHHRCCINCEED-UHFFFAOYSA-N": { "inchikey": "HDEHHRCCINCEED-UHFFFAOYSA-N", "inchikey2D": "HDEHHRCCINCEED", "names": [ "5,8,22-trihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,12,16-trione" ], "molecular_formula": "C18H20N2O6S3", "smiles": "O=C1CC2SSC34CC1C(C2O)N3C(=O)C12CC3C(O)CC(S1)C(O)C3N2C4=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0203536" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "DJJCXFVJDGTHFX-XVFCMESISA-N": { "inchikey": "DJJCXFVJDGTHFX-XVFCMESISA-N", "inchikey2D": "DJJCXFVJDGTHFX", "names": [ "uridine monophosphate" ], "molecular_formula": "C9H13N2O9P", "smiles": "O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0237999" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "NGPCLOGFGKJCBP-HZPDHXFCSA-N": { "inchikey": "NGPCLOGFGKJCBP-HZPDHXFCSA-N", "inchikey2D": "NGPCLOGFGKJCBP", "names": [ "(3r,6r)-3,6-bis[(4-hydroxyphenyl)methyl]-3,6-dihydropyrazine-2,5-diol" ], "molecular_formula": "C18H18N2O4", "smiles": "OC1=N[C@H](Cc2ccc(O)cc2)C(O)=N[C@@H]1Cc1ccc(O)cc1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0225817" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "FPRZZNXGXNQMGN-UHFFFAOYSA-N": { "inchikey": "FPRZZNXGXNQMGN-UHFFFAOYSA-N", "inchikey2D": "FPRZZNXGXNQMGN", "names": [ "2-{[1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol" ], "molecular_formula": "C34H56O6", "smiles": "CC(C)C(C)CCC(C)C1CCC2C3=CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0226770" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "OIRDTQYFTABQOQ-UHFFFAOYSA-N": { "inchikey": "OIRDTQYFTABQOQ-UHFFFAOYSA-N", "inchikey2D": "OIRDTQYFTABQOQ", "names": [ "adenosine" ], "molecular_formula": "C10H13N5O4", "smiles": "Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0052576" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "CKJZKFPVVUQBMB-MQAUTBKVSA-N": { "inchikey": "CKJZKFPVVUQBMB-MQAUTBKVSA-N", "inchikey2D": "CKJZKFPVVUQBMB", "names": [ "(2s,3r,4r,5r,6s)-2-{[(1s,2s,5r,6r,9r,10r,13s,15s)-5-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol" ], "molecular_formula": "C34H54O8", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]34C=C[C@]5(C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]3CC[C@@]21C)OO4", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0259164" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "DDKGKOOLFLYZDL-UHFFFAOYSA-N": { "inchikey": "DDKGKOOLFLYZDL-UHFFFAOYSA-N", "inchikey2D": "DDKGKOOLFLYZDL", "names": [ "3',4',7-trihydroxyisoflavone" ], "molecular_formula": "C15H10O5", "smiles": "O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)ccc12", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0265890" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "KFDSXBGPHVNSIT-UHFFFAOYSA-N": { "inchikey": "KFDSXBGPHVNSIT-UHFFFAOYSA-N", "inchikey2D": "KFDSXBGPHVNSIT", "names": [ "5,15-dihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁶,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone" ], "molecular_formula": "C18H18N2O6S2", "smiles": "O=C1CC2SC34CC1C(C2O)N3C(=O)C12CC3C(=O)CC(S1)C(O)C3N2C4=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0009037" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "CKJZKFPVVUQBMB-UHFFFAOYSA-N": { "inchikey": "CKJZKFPVVUQBMB-UHFFFAOYSA-N", "inchikey2D": "CKJZKFPVVUQBMB", "names": [ "2-{[5-(5,6-dimethylhept-3-en-2-yl)-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol" ], "molecular_formula": "C34H54O8", "smiles": "CC(C)C(C)C=CC(C)C1CCC2C1(C)CCC1C23C=CC2(CC(OC4OC(CO)C(O)C(O)C4O)CCC12C)OO3", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Hypholoma", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0053070" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Hypholoma==Hypholoma", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "JPUPMIVLDVVGIE-DXOBHMFTSA-N": { "inchikey": "JPUPMIVLDVVGIE-DXOBHMFTSA-N", "inchikey2D": "JPUPMIVLDVVGIE", "names": [ "(1r,4s,5r,8r,11r,14s,15r,18r,22r,24r)-22,24-dihydroxy-9,10,19,20-tetrathia-3,13-diazaheptacyclo[13.5.1.1⁴,⁸.1⁵,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹]tetracosane-2,6,12,16-tetrone" ], "molecular_formula": "C18H18N2O6S4", "smiles": "O=C1C[C@H]2SS[C@@]34C[C@@H]1[C@@H]([C@H]2O)N3C(=O)[C@@]12C[C@H]3C(=O)C[C@@H](SS1)[C@H](O)[C@H]3N2C4=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0263672" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "NWVVVBRKAWDGAB-UHFFFAOYSA-N": { "inchikey": "NWVVVBRKAWDGAB-UHFFFAOYSA-N", "inchikey2D": "NWVVVBRKAWDGAB", "names": [ "methoxyphenol" ], "molecular_formula": "C7H8O2", "smiles": "COc1ccc(O)cc1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0066913" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "UGQMRVRMYYASKQ-KQYNXXCUSA-N": { "inchikey": "UGQMRVRMYYASKQ-KQYNXXCUSA-N", "inchikey2D": "UGQMRVRMYYASKQ", "names": [ "(-)-inosine" ], "molecular_formula": "C10H12N4O5", "smiles": "OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps", "[query-hint] Russula" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0273582" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Russula==Russula" ] }, "UDMBCSSLTHHNCD-KQYNXXCUSA-N": { "inchikey": "UDMBCSSLTHHNCD-KQYNXXCUSA-N", "inchikey2D": "UDMBCSSLTHHNCD", "names": [ "adenosine monophosphate" ], "molecular_formula": "C10H14N5O7P", "smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps", "[query-hint] Volvariella" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0007212" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Volvariella==Volvariella" ] }, "KFUCYPGCMLPUMT-UHFFFAOYSA-N": { "inchikey": "KFUCYPGCMLPUMT-UHFFFAOYSA-N", "inchikey2D": "KFUCYPGCMLPUMT", "names": [ "perlolyrine" ], "molecular_formula": "C16H12N2O2", "smiles": "OCc1ccc(-c2nccc3c2[nH]c2ccccc23)o1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0026035" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "VZPAURMDJZOGHU-DQEYMECFSA-N": { "inchikey": "VZPAURMDJZOGHU-DQEYMECFSA-N", "inchikey2D": "VZPAURMDJZOGHU", "names": [ "(2s)-n-[(2s)-1-(acetyloxy)-3-phenylpropan-2-yl]-2-{[hydroxy(phenyl)methylidene]amino}-3-phenylpropanimidic acid", "Asperglaucide" ], "molecular_formula": "C27H28N2O4", "smiles": "CC(=O)OC[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)c1ccccc1", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0004100", "npaid": "NPA005432" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "OIVLITBTBDPEFK-UHFFFAOYSA-N": { "inchikey": "OIVLITBTBDPEFK-UHFFFAOYSA-N", "inchikey2D": "OIVLITBTBDPEFK", "names": [ "hydrouracil" ], "molecular_formula": "C4H6N2O2", "smiles": "OC1=NC(O)=NCC1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0013122" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "KFDSXBGPHVNSIT-NTZNKOSHSA-N": { "inchikey": "KFDSXBGPHVNSIT-NTZNKOSHSA-N", "inchikey2D": "KFDSXBGPHVNSIT", "names": [ "(1s,4r,5s,6s,9s,11s,14r,15s,16s,19s)-5,15-dihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁶,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone" ], "molecular_formula": "C18H18N2O6S2", "smiles": "O=C1C[C@@H]2S[C@]34C[C@H]1[C@H]([C@@H]2O)N3C(=O)[C@]12C[C@@H]3C(=O)C[C@H](S1)[C@@H](O)[C@@H]3N2C4=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0021015" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "OYZWACRLCWKSSL-SECBINFHSA-N": { "inchikey": "OYZWACRLCWKSSL-SECBINFHSA-N", "inchikey2D": "OYZWACRLCWKSSL", "names": [ "cordysinin e" ], "molecular_formula": "C14H14N2O2", "smiles": "OC[C@H](O)Cc1nccc2c1[nH]c1ccccc12", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0019387" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "QELSKZZBTMNZEB-UHFFFAOYSA-N": { "inchikey": "QELSKZZBTMNZEB-UHFFFAOYSA-N", "inchikey2D": "QELSKZZBTMNZEB", "names": [ "propylparaben" ], "molecular_formula": "C10H12O3", "smiles": "CCCOC(=O)c1ccc(O)cc1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0034038" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "SPLIJUQASWTCRI-DRHIPVLPSA-N": { "inchikey": "SPLIJUQASWTCRI-DRHIPVLPSA-N", "inchikey2D": "SPLIJUQASWTCRI", "names": [ "(1s,4r,5s,6s,7r,9s,11s,14r,15s,18s,22s)-5,6,22-trihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁷,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone" ], "molecular_formula": "C18H18N2O7S3", "smiles": "O=C1C[C@@H]2SS[C@]34C[C@H]1[C@H]([C@@H]2O)N3C(=O)[C@]12C[C@@H]3C(=O)[C@H](S1)[C@@H](O)[C@@H](O)[C@@H]3N2C4=O", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0090024" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "FPRZZNXGXNQMGN-HYFDOQIUSA-N": { "inchikey": "FPRZZNXGXNQMGN-HYFDOQIUSA-N", 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"[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0225616" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "UCQUAMAQHHEXGD-UHFFFAOYSA-N": { "inchikey": "UCQUAMAQHHEXGD-UHFFFAOYSA-N", "inchikey2D": "UCQUAMAQHHEXGD", "names": [ "3',4'-dihydroxyacetophenone" ], "molecular_formula": "C8H8O3", "smiles": "CC(=O)c1ccc(O)c(O)c1", "species": [ "[query-hint] Cordyceps sinensis", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0252444" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps sinensis==Cordyceps sinensis", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "FPUGCISOLXNPPC-IOSLPCCCSA-N": { "inchikey": "FPUGCISOLXNPPC-IOSLPCCCSA-N", "inchikey2D": "FPUGCISOLXNPPC", "names": [ 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"inchikey": "CBRBLDIHLMPBCF-UHFFFAOYSA-N", "inchikey2D": "CBRBLDIHLMPBCF", "names": [ "3-{1',3,4,6',6',10',17',21'-octamethyl-5-oxo-14'-oxaspiro[oxolane-2,15'-pentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicosan]-2'(11')-en-7'-yloxy}-3-oxopropanoic acid" ], "molecular_formula": "C34H50O7", "smiles": "CC1CC2(OC(=O)C(C)C2C)OC2CC3=C(CCC4C3(C)CCC(OC(=O)CC(=O)O)C4(C)C)C3(C)CCC1C23C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0021101" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "KPKYWYZPIVAHKU-WMNQUVFJSA-N": { "inchikey": "KPKYWYZPIVAHKU-WMNQUVFJSA-N", "inchikey2D": "KPKYWYZPIVAHKU", "names": [ "polyporenic acid c" ], "molecular_formula": "C31H46O4", "smiles": "C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C", "species": [ "[query-hint] Fomitopsis", "[query-hint] Piptoporus", "[query-hint] Trametes", "[query-hint] Wolfiporia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0243553" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "GREY:Piptoporus", "INCLUDE:Trametes==Trametes", "INCLUDE:Wolfiporia==Wolfiporia" ] }, "UGLZSMAJBRYYDK-KZUYJXEZSA-N": { "inchikey": "UGLZSMAJBRYYDK-KZUYJXEZSA-N", "inchikey2D": "UGLZSMAJBRYYDK", "names": [ "3-[(1's,2s,5'r,7'r,10's,13'r,17'r,18'r,21'r)-1',3,4,6',6',10',17',21'-octamethyl-5-oxo-14'-oxaspiro[furan-2,15'-pentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicosan]-2'(11')-en-7'-yloxy]-3-oxopropanoic acid", "Fomitopsin B" ], "molecular_formula": "C34H48O7", "smiles": "CC1=C(C)[C@]2(C[C@@H](C)[C@H]3CC[C@@]4(C)C5=C(C[C@@H](O2)[C@]34C)[C@@]2(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]2CC5)OC1=O", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0066954", "npaid": "NPA006194" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "DVXFDXIVWQWLIU-VZLNGMIXSA-N": { "inchikey": "DVXFDXIVWQWLIU-VZLNGMIXSA-N", "inchikey2D": "DVXFDXIVWQWLIU", "names": [ "2-[(1r,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C31H46O3", "smiles": "C=C(CCC(C(=O)O)[C@H]1CCC2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C", "species": [ "[query-hint] Fomitopsis", "[query-hint] Wolfiporia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0060472" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Wolfiporia==Wolfiporia" ] }, "SBQVJLOKEGLUHV-CBHRWLRXSA-N": { "inchikey": "SBQVJLOKEGLUHV-CBHRWLRXSA-N", "inchikey2D": "SBQVJLOKEGLUHV", "names": [ "(2r,6r)-6-[(1r,3as,5ar,7r,9as,11r,11ar)-7-[(2-carboxyacetyl)oxy]-11-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylidene-4-oxoheptanoic acid" ], "molecular_formula": "C34H50O8", "smiles": "C=C(C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3)[C@@H](C)C(=O)O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0199706" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "SZJHDEBBAHZWAS-JYUDEBFNSA-N": { "inchikey": "SZJHDEBBAHZWAS-JYUDEBFNSA-N", "inchikey2D": "SZJHDEBBAHZWAS", "names": [ "fomitoside e" ], "molecular_formula": "C37H58O9", "smiles": "CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](C/C=C/C(C)(C)O)C(=O)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0200604" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "AGVCHWQWQGSFDP-RRVFYQKXSA-N": { "inchikey": "AGVCHWQWQGSFDP-RRVFYQKXSA-N", "inchikey2D": "AGVCHWQWQGSFDP", "names": [ "(1r,3ar,5as,7s,9as,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-3a,9a,11a-trimethyl-1h,2h,3h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C29H46O", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0124292" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "WOAOVYIRRFOGFW-UHFFFAOYSA-N": { "inchikey": "WOAOVYIRRFOGFW-UHFFFAOYSA-N", "inchikey2D": "WOAOVYIRRFOGFW", "names": [ "6-{7-[(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-7-hydroxy-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C37H58O8", "smiles": "C=C(CCC(CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(=O)CC(C)(O)CC(=O)O)C(C)(C)C1CC3)C(C)C(=O)O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0184374" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "PUTIRHSSEJKJRE-UHFFFAOYSA-N": { "inchikey": "PUTIRHSSEJKJRE-UHFFFAOYSA-N", "inchikey2D": "PUTIRHSSEJKJRE", "names": [ "3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methyl-5-methylideneheptanoate" ], "molecular_formula": "C37H60O8", "smiles": "C=C(CCC(C(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0071788" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "MKACABJIGZVQOK-ADELDBEGSA-N": { "inchikey": "MKACABJIGZVQOK-ADELDBEGSA-N", "inchikey2D": "MKACABJIGZVQOK", "names": [ "(2r)-2-[(1r,3s,3ar,5ar,7r,9as,11ar)-3-hydroxy-7-{[(3s)-3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl]oxy}-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid", "Formipinic acid B" ], "molecular_formula": "C37H58O8", "smiles": "COC(=O)C[C@](C)(O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)[C@@H](O)C[C@H]([C@@H](CCC=C(C)C)C(=O)O)[C@@]1(C)CC3", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0068115", "npaid": "NPA026315" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "TVQUBLZAXIBVSC-FEPPMAMYSA-N": { "inchikey": "TVQUBLZAXIBVSC-FEPPMAMYSA-N", "inchikey2D": "TVQUBLZAXIBVSC", "names": [ "(2r,3r,6r)-6-[(1r,3as,5ar,7r,9as,11r,11ar)-7-[(2-carboxyacetyl)oxy]-11-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dimethyl-4-oxoheptanoic acid" ], "molecular_formula": "C34H52O8", "smiles": "C[C@H](CC(=O)[C@H](C)[C@@H](C)C(=O)O)[C@H]1CC[C@@]2(C)C3=C(C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0128677" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "RWQINIOQZXZDGZ-JLPRQSABSA-N": { "inchikey": "RWQINIOQZXZDGZ-JLPRQSABSA-N", "inchikey2D": "RWQINIOQZXZDGZ", "names": [ "(2r)-2-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-2,7-dioxo-1h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid", "Pinicolic acid B" ], "molecular_formula": "C30H44O4", "smiles": "CC(C)=CCC[C@@H](C(=O)O)[C@H]1C(=O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0052187", "npaid": "NPA005024" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "UGLZSMAJBRYYDK-UHFFFAOYSA-N": { "inchikey": "UGLZSMAJBRYYDK-UHFFFAOYSA-N", "inchikey2D": "UGLZSMAJBRYYDK", "names": [ "3-{1',3,4,6',6',10',17',21'-octamethyl-5-oxo-14'-oxaspiro[furan-2,15'-pentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicosan]-2'(11')-en-7'-yloxy}-3-oxopropanoic acid" ], "molecular_formula": "C34H48O7", "smiles": "CC1=C(C)C2(CC(C)C3CCC4(C)C5=C(CC(O2)C34C)C2(C)CCC(OC(=O)CC(=O)O)C(C)(C)C2CC5)OC1=O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0207612" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "CHLVGVZUMKSZKD-VZLXLCGUSA-N": { "inchikey": "CHLVGVZUMKSZKD-VZLXLCGUSA-N", "inchikey2D": "CHLVGVZUMKSZKD", "names": [ "(1r,3s,3ar,5ar,7r,9as,11ar)-3-hydroxy-1-[(2r)-1-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl 1-methyl (3s)-3-hydroxy-3-methylpentanedioate", "Formipinol" ], "molecular_formula": "C37H60O7", "smiles": "COC(=O)C[C@](C)(O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)[C@@H](O)C[C@H]([C@H](CO)CCC=C(C)C)[C@@]1(C)CC3", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0052848", "npaid": "NPA026316" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "BGFUPUXPMBXGKR-UHFFFAOYSA-N": { "inchikey": "BGFUPUXPMBXGKR-UHFFFAOYSA-N", "inchikey2D": "BGFUPUXPMBXGKR", "names": [ "3,4,5-trihydroxyoxan-2-yl 2-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-6-methylhept-4-enoate" ], "molecular_formula": "C35H54O8", "smiles": "CC(C)(O)C=CCC(C(=O)OC1OCC(O)C(O)C1O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0132817" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "PKWORMXMWBDULM-MVQHSHHOSA-N": { "inchikey": "PKWORMXMWBDULM-MVQHSHHOSA-N", "inchikey2D": "PKWORMXMWBDULM", "names": [ "(2r)-2-[(1r,2r,3ar,5ar,9as,11ar)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid" ], "molecular_formula": "C30H46O4", "smiles": "CC(C)=CCC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0206410" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "HDEYPWNVBOCOQU-JJTVPUFZSA-N": { "inchikey": "HDEYPWNVBOCOQU-JJTVPUFZSA-N", "inchikey2D": "HDEYPWNVBOCOQU", "names": [ "(2s,6r)-6-[(1r,3as,5ar,7r,9as,11s,11ar)-7-{[(3s)-3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl]oxy}-11-methoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C39H60O8", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(=O)C[C@@](C)(O)CC(=O)OC)CC[C@]4(C)C3=C[C@H](OC)[C@]12C)[C@H](C)C(=O)O", "species": [ "[query-hint] Fomitopsis", "[query-hint] Piptoporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0126361" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "GREY:Piptoporus" ] }, "QDAFVTFMFWMYRP-PDSVFSMYSA-N": { "inchikey": "QDAFVTFMFWMYRP-PDSVFSMYSA-N", "inchikey2D": "QDAFVTFMFWMYRP", "names": [ "(2r)-2-[(1r,2r,3ar,5ar,7r,9as,11ar)-2-hydroxy-7-{[(3s)-3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl]oxy}-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid", "Palustrisoic acid H" ], "molecular_formula": "C38H60O8", "smiles": "C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@@](C)(O)CC(=O)OC)C(C)(C)[C@@H]1CC3)C(C)C", "species": [ "[npatlas-query] Fomitopsis", 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"INCLUDE:Wolfiporia==Wolfiporia" ] }, "OEQYASIYRZNOIT-UHFFFAOYSA-N": { "inchikey": "OEQYASIYRZNOIT-UHFFFAOYSA-N", "inchikey2D": "OEQYASIYRZNOIT", "names": [ "1-(1-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H48O2", "smiles": "CC(C)=CCCC(CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0074903" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "AMEUCOVFRJNTQC-AQTXQJTQSA-N": { "inchikey": "AMEUCOVFRJNTQC-AQTXQJTQSA-N", "inchikey2D": "AMEUCOVFRJNTQC", "names": [ "(2r)-2-[(1r,3ar,5ar,7r,9as,11ar)-7-{[(3s)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy}-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid", "Formipinic acid A" ], "molecular_formula": "C36H56O7", "smiles": "CC(C)=CCC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@@](C)(O)CC(=O)O)C(C)(C)[C@@H]1CC3", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0240506", "npaid": "NPA026314" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "PDPHXWNFSFMLOA-IIMCFSKWSA-N": { "inchikey": "PDPHXWNFSFMLOA-IIMCFSKWSA-N", "inchikey2D": "PDPHXWNFSFMLOA", "names": [ "(2s,6r)-6-[(1r,3as,5ar,7s,9as,11s,11ar)-7-{[(3s)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy}-11-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid", "Palustrisoic acid B" ], "molecular_formula": "C37H58O8", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0130674", "npaid": "NPA023725" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "VJZGMNCOONJLEB-KRXBUXKQSA-N": { "inchikey": "VJZGMNCOONJLEB-KRXBUXKQSA-N", "inchikey2D": "VJZGMNCOONJLEB", "names": [ "2-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]benzene-1,4-diol" ], "molecular_formula": "C11H14O3", "smiles": "C/C(=C\\Cc1cc(O)ccc1O)CO", "species": [ "[query-hint] Fomitopsis", "[query-hint] Piptoporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0098497" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "GREY:Piptoporus" ] }, "XXLILNVFRASZGT-UHFFFAOYSA-N": { "inchikey": "XXLILNVFRASZGT-UHFFFAOYSA-N", "inchikey2D": "XXLILNVFRASZGT", "names": [ "1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl octadeca-9,12-dienoate" ], "molecular_formula": "C46H78O2", "smiles": "CCCCCC=CCC=CCCCCCCCC(=O)OC1CCC2(C)C(CC=C3C2CCC2(C)C3CCC2C(C)CCC(C)C(C)C)C1", "species": [ "[query-hint] Fomitopsis", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0210334" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZKQRGSXITBHHPC-UHFFFAOYSA-N": { "inchikey": "ZKQRGSXITBHHPC-UHFFFAOYSA-N", "inchikey2D": "ZKQRGSXITBHHPC", "names": [ "1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C28H46O", "smiles": "CC(C)C(C)CCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C", "species": [ "[query-hint] Fomitopsis", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Saccharomyces cerevisiae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0070586" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae" ] }, "XZEKQUYJGSOILA-ULCNFEHNSA-N": { "inchikey": "XZEKQUYJGSOILA-ULCNFEHNSA-N", "inchikey2D": "XZEKQUYJGSOILA", "names": [ "(2r)-2-[(1r,3s,3ar,5ar,7r,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C31H50O4", "smiles": "C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(C)C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0123479" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "PDPHXWNFSFMLOA-JAKLSMARSA-N": { "inchikey": "PDPHXWNFSFMLOA-JAKLSMARSA-N", "inchikey2D": "PDPHXWNFSFMLOA", "names": [ "(2s,6r)-6-[(1r,3as,5ar,7s,9as,11r,11ar)-7-{[(3s)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy}-11-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid", "Palustrisoic acid C" ], "molecular_formula": "C37H58O8", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0074546", "npaid": "NPA023726" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "SVNICXKSXGSPGN-READASPFSA-N": { "inchikey": "SVNICXKSXGSPGN-READASPFSA-N", "inchikey2D": "SVNICXKSXGSPGN", "names": [ "(2s,6r)-6-[(1r,3ar,5ar,7r,9as,11r,11ar)-11-hydroxy-7-[(3-methoxy-3-oxopropanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C35H52O8", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)OC)C(C)(C)[C@@H]1CC3=O)[C@H](C)C(=O)O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0231626" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "NBCPQLQTQKPUNE-UHFFFAOYSA-N": { "inchikey": "NBCPQLQTQKPUNE-UHFFFAOYSA-N", "inchikey2D": "NBCPQLQTQKPUNE", "names": [ "5-({1-[1-(3,4-dimethyl-5-oxo-2h-furan-2-yl)propan-2-yl]-5,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoic acid" ], "molecular_formula": "C37H56O9", "smiles": "CC1=C(C)C(CC(C)C2CCC3(C)C4=C(CC(O)C23C)C2(C)CCC(OC(=O)CC(C)(O)CC(=O)O)C(C)(C)C2C(O)C4)OC1=O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0085803" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "PUTIRHSSEJKJRE-YRGCHUOVSA-N": { "inchikey": "PUTIRHSSEJKJRE-YRGCHUOVSA-N", "inchikey2D": "PUTIRHSSEJKJRE", "names": [ "(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoate" ], "molecular_formula": "C37H60O8", "smiles": "C=C(CC[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0127540" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "YBSQGNFRWZKFMJ-FRJHFHMPSA-N": { "inchikey": "YBSQGNFRWZKFMJ-FRJHFHMPSA-N", "inchikey2D": "YBSQGNFRWZKFMJ", "names": [ "(2r)-2-hydroxy-n-[(2s,3r,4e,8e)-3-hydroxy-9-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]hexadecanimidic acid" ], "molecular_formula": "C41H77NO9", "smiles": "CCCCCCCCCCCCCC[C@@H](O)C(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\\C)CCCCCCCCC", "species": [ "[query-hint] Fomitopsis", "[query-hint] Termitomyces" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0075939" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Termitomyces==Termitomyces" ] }, "RGQTXIRZQWQEOP-LHCADLFASA-N": { "inchikey": "RGQTXIRZQWQEOP-LHCADLFASA-N", "inchikey2D": "RGQTXIRZQWQEOP", "names": [ "(2s,6r)-6-[(1r,3as,5ar,6s,7r,9as,11s,11ar)-7-{[(3r)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy}-11-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C37H58O9", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@](C)(O)CC(=O)O)[C@](C)(CO)[C@@H]1CC3)[C@H](C)C(=O)O", "species": [ "[query-hint] Fomitopsis", "[query-hint] Piptoporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0223143" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "GREY:Piptoporus" ] }, "PIKUUXNDOMSKCQ-SYKXVNAZSA-N": { "inchikey": "PIKUUXNDOMSKCQ-SYKXVNAZSA-N", "inchikey2D": "PIKUUXNDOMSKCQ", "names": [ "(1r,3ar,5ar,7r,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2r)-6-methyl-1-oxo-1-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}hept-5-en-2-yl]-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl 1-methyl (3r)-3-hydroxy-3-methylpentanedioate" ], "molecular_formula": "C42H66O11", "smiles": "COC(=O)C[C@@](C)(O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)C(=O)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0124017" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "LLMXBZDIOIJCEF-UHFFFAOYSA-N": { "inchikey": "LLMXBZDIOIJCEF-UHFFFAOYSA-N", "inchikey2D": "LLMXBZDIOIJCEF", "names": [ "2-[6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C31H48O4", "smiles": "C=C(CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C(C)(CCC(=O)O)C(C(=C)C)CC3)C(C)C", "species": [ "[query-hint] Fomitopsis", "[query-hint] Piptoporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0075045" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "GREY:Piptoporus" ] }, "SGSMRLJTYJLFMA-UHFFFAOYSA-N": { "inchikey": "SGSMRLJTYJLFMA-UHFFFAOYSA-N", "inchikey2D": "SGSMRLJTYJLFMA", "names": [ "1',3,4,6',6',10',17',21'-octamethyl-5-oxo-14'-oxaspiro[oxolane-2,15'-pentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicosan]-2'(11')-en-7'-yl acetate" ], "molecular_formula": "C33H50O5", "smiles": "CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC2C(C)CC4(OC(=O)C(C)C4C)OC(C3)C21C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0075046" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "NKFZRENLPHOVJX-PIZCFUPASA-N": { "inchikey": "NKFZRENLPHOVJX-PIZCFUPASA-N", "inchikey2D": "NKFZRENLPHOVJX", "names": [ "(2r,3r,4s,5r)-2,4,5-trihydroxyoxan-3-yl (2r,4e)-2-[(1r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-6-methylhept-4-enoate", "Fomitoside E" ], "molecular_formula": "C37H58O9", "smiles": "CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](C/C=C/C(C)(C)O)C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O)[C@@]1(C)CC3", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0223366", "npaid": "NPA009746" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "PIKUUXNDOMSKCQ-DFXGZFGXSA-N": { "inchikey": "PIKUUXNDOMSKCQ-DFXGZFGXSA-N", "inchikey2D": "PIKUUXNDOMSKCQ", "names": [ "(1r,3ar,5ar,7r,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2r)-6-methyl-1-oxo-1-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}hept-5-en-2-yl]-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl 1-methyl 3-hydroxy-3-methylpentanedioate" ], "molecular_formula": "C42H66O11", "smiles": "COC(=O)CC(C)(O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)C(=O)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0093119" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "NRYFNXVGUMXREY-RSORLGOASA-N": { "inchikey": "NRYFNXVGUMXREY-RSORLGOASA-N", "inchikey2D": "NRYFNXVGUMXREY", "names": [ "(2s,6r)-6-[(1r,3as,5ar,7s,9as,11s,11ar)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid", "Palustrisoic acid G" ], "molecular_formula": "C31H50O4", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0094849", "npaid": "NPA023730" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "XRFPNJNRVLDUTB-CRPPMEMTSA-N": { "inchikey": "XRFPNJNRVLDUTB-CRPPMEMTSA-N", "inchikey2D": "XRFPNJNRVLDUTB", "names": [ "(6r)-6-[(1r,3ar,5ar,7r,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylidene-4-oxoheptanoic acid", "3α-hydroxy-24-methylene-23-oxolanost-8-en-26-carboxylic acid" ], "molecular_formula": "C31H48O4", "smiles": "C=C(C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(C)C(=O)O", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0077413", "npaid": "NPA009362" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "VATQJYHZJDBTRN-FPTGVVBESA-N": { "inchikey": "VATQJYHZJDBTRN-FPTGVVBESA-N", "inchikey2D": "VATQJYHZJDBTRN", "names": [ "(2s,6r)-6-[(1r,3as,5ar,7r,9as,11r,11ar)-11-hydroxy-7-[(3-methoxy-3-oxopropanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C35H54O7", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)OC)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0181515" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "CMFXVXMZKRZFGW-PMZMHBGXSA-N": { "inchikey": "CMFXVXMZKRZFGW-PMZMHBGXSA-N", "inchikey2D": "CMFXVXMZKRZFGW", "names": [ "(2r)-2-[(1r,3s,3ar,9ar)-3-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C33H50O5", "smiles": "C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3CCC12C)C(C)C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0096380" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "ZILGTWWGYWOZLX-YJAYWBJASA-N": { "inchikey": "ZILGTWWGYWOZLX-YJAYWBJASA-N", "inchikey2D": "ZILGTWWGYWOZLX", "names": [ "(2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-2-oxo-1h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid", "Pinicolic acid D" ], "molecular_formula": "C30H44O4", "smiles": "CC(C)=CCC[C@@H](C(=O)O)[C@H]1C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0098913", "npaid": "NPA016402" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "JIESWXRJWVOIGO-NLXUJKFSSA-N": { "inchikey": "JIESWXRJWVOIGO-NLXUJKFSSA-N", "inchikey2D": "JIESWXRJWVOIGO", "names": [ "(2r,3r,4s,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl (2r)-2-[(1r,3ar,5ar,7r,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoate", "Fomitoside I" ], "molecular_formula": "C36H58O8", "smiles": "CC(C)=CCC[C@@H](C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0040711", "npaid": "NPA000297" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "XLFNYXBDIFFFJX-PAMRNPGQSA-N": { "inchikey": "XLFNYXBDIFFFJX-PAMRNPGQSA-N", "inchikey2D": "XLFNYXBDIFFFJX", "names": [ "(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl (2r)-2-[(1r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoate" ], "molecular_formula": "C38H60O8", "smiles": "C=C(CC[C@@H](C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(C)C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0159279" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "ZOQINMSKLIQAKX-XMWXQHOCSA-N": { "inchikey": "ZOQINMSKLIQAKX-XMWXQHOCSA-N", "inchikey2D": "ZOQINMSKLIQAKX", "names": [ "(2r)-2-[(3r,3ar,6s,7s,9br)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid", "Pinicolic acid C" ], "molecular_formula": "C30H46O4", "smiles": "C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]([C@@H](CCC=C(C)C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0178380", "npaid": "NPA011108" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "VJQVBVZQNXBUMB-IGSMQXNZSA-N": { "inchikey": "VJQVBVZQNXBUMB-IGSMQXNZSA-N", "inchikey2D": "VJQVBVZQNXBUMB", "names": [ "3-{[(1r,3ar,5ar,7r,9as,11r,11ar)-1-[(2r)-1-[(2s)-3,4-dimethyl-5-oxo-2h-furan-2-yl]propan-2-yl]-11-hydroxy-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3-oxopropanoic acid" ], "molecular_formula": "C34H48O8", "smiles": "CC1=C(C)[C@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C[C@@H](O)[C@]23C)[C@@]2(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]2CC4=O)OC1=O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0090648" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "SBBCYRBHXPXNBP-UHFFFAOYSA-N": { "inchikey": "SBBCYRBHXPXNBP-UHFFFAOYSA-N", "inchikey2D": "SBBCYRBHXPXNBP", "names": [ "6-chloro-4-phenylchromen-2-one" ], "molecular_formula": "C15H9ClO2", "smiles": "O=c1cc(-c2ccccc2)c2cc(Cl)ccc2o1", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0097636" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "PIKUUXNDOMSKCQ-UHFFFAOYSA-N": { "inchikey": "PIKUUXNDOMSKCQ-UHFFFAOYSA-N", "inchikey2D": "PIKUUXNDOMSKCQ", "names": [ "3a,6,6,9a,11a-pentamethyl-1-{6-methyl-1-oxo-1-[(3,4,5-trihydroxyoxan-2-yl)oxy]hept-5-en-2-yl}-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl 1-methyl 3-hydroxy-3-methylpentanedioate" ], "molecular_formula": "C42H66O11", "smiles": "COC(=O)CC(C)(O)CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(CCC=C(C)C)C(=O)OC2OCC(O)C(O)C2O)C1(C)CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0022406" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "HHNLQWOVCRXGMP-UHFFFAOYSA-N": { "inchikey": "HHNLQWOVCRXGMP-UHFFFAOYSA-N", "inchikey2D": "HHNLQWOVCRXGMP", "names": [ "3-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalene-1-carboxylic acid" ], "molecular_formula": "C15H24O3", "smiles": "C=C1C(O)CC2C(C)(C)CCCC2(C)C1C(=O)O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0021929" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "ZOQINMSKLIQAKX-UHFFFAOYSA-N": { "inchikey": "ZOQINMSKLIQAKX-UHFFFAOYSA-N", "inchikey2D": "ZOQINMSKLIQAKX", "names": [ "2-[6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid" ], "molecular_formula": "C30H46O4", "smiles": "C=C(C)C1CCC2=C(CCC3(C)C(C(CCC=C(C)C)C(=O)O)CCC23C)C1(C)CCC(=O)O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0200210" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "HDEYPWNVBOCOQU-UHFFFAOYSA-N": { "inchikey": "HDEYPWNVBOCOQU-UHFFFAOYSA-N", "inchikey2D": "HDEYPWNVBOCOQU", "names": [ "6-{7-[(3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxy]-11-methoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C39H60O8", "smiles": "C=C(CCC(C)C1CCC2(C)C3=CCC4C(C)(CCC(OC(=O)CC(C)(O)CC(=O)OC)C4(C)C)C3=CC(OC)C12C)C(C)C(=O)O", "species": [ "[query-hint] Fomitopsis", "[query-hint] Piptoporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0120679" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "GREY:Piptoporus" ] }, "PIXBMLWQDSJWSM-JCGSAEKZSA-N": { "inchikey": "PIXBMLWQDSJWSM-JCGSAEKZSA-N", "inchikey2D": "PIXBMLWQDSJWSM", "names": [ "(2r,3r,4s,5r)-2,4,5-trihydroxyoxan-3-yl (2r,4e)-2-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-6-methylhept-4-enoate", "Fomitoside A" ], "molecular_formula": "C35H54O8", "smiles": "CC(C)(O)/C=C/C[C@@H](C(=O)O[C@@H]1[C@@H](O)[C@H](O)CO[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0118870", "npaid": "NPA011761" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "MXKWCAVFPDCSMF-UHFFFAOYSA-N": { "inchikey": "MXKWCAVFPDCSMF-UHFFFAOYSA-N", "inchikey2D": "MXKWCAVFPDCSMF", "names": [ "6-{11-hydroxy-7-[(3-methoxy-3-oxopropanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylidene-4-oxoheptanoic acid" ], "molecular_formula": "C35H52O8", "smiles": "C=C(C(=O)CC(C)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CCC(OC(=O)CC(=O)OC)C(C)(C)C1CC3)C(C)C(=O)O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0181613" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "BKYXFMBVCZTLAT-WNBOPUNHSA-N": { "inchikey": "BKYXFMBVCZTLAT-WNBOPUNHSA-N", "inchikey2D": "BKYXFMBVCZTLAT", "names": [ "(2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,5-dimethoxypentanoic acid", "Gloeophyllic acid A" ], "molecular_formula": "C29H48O5", "smiles": "COC(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)OC", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0108151", "npaid": "NPA015770" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "GUMRQOIMXJKZJI-NRRCBWGXSA-N": { "inchikey": "GUMRQOIMXJKZJI-NRRCBWGXSA-N", "inchikey2D": "GUMRQOIMXJKZJI", "names": [ "3-[(1's,2s,3s,4s,4'r,5's,8'r,10's,13's,14's,17'r,18'r)-4'-ethoxy-3,4,5',9',9',14',18'-heptamethyl-5,15'-dioxo-21'-oxaspiro[oxolane-2,20'-pentacyclo[12.8.0.0¹,¹⁷.0⁴,¹³.0⁵,¹⁰]docosan]-8'-yloxy]-3-oxopropanoic acid" ], "molecular_formula": "C36H54O9", "smiles": "CCO[C@]12CC[C@]34CO[C@@]5(C[C@@H](C)[C@H]3CC(=O)[C@@]4(C)[C@@H]1CC[C@H]1C(C)(C)[C@H](OC(=O)CC(=O)O)CC[C@@]12C)OC(=O)[C@@H](C)[C@@H]5C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0109460" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "GUMRQOIMXJKZJI-UHFFFAOYSA-N": { "inchikey": "GUMRQOIMXJKZJI-UHFFFAOYSA-N", "inchikey2D": "GUMRQOIMXJKZJI", "names": [ "3-{4'-ethoxy-3,4,5',9',9',14',18'-heptamethyl-5,15'-dioxo-21'-oxaspiro[oxolane-2,20'-pentacyclo[12.8.0.0¹,¹⁷.0⁴,¹³.0⁵,¹⁰]docosan]-8'-yloxy}-3-oxopropanoic acid" ], "molecular_formula": "C36H54O9", "smiles": "CCOC12CCC34COC5(CC(C)C3CC(=O)C4(C)C1CCC1C(C)(C)C(OC(=O)CC(=O)O)CCC12C)OC(=O)C(C)C5C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0114602" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "CBRBLDIHLMPBCF-HIOCDSKKSA-N": { "inchikey": "CBRBLDIHLMPBCF-HIOCDSKKSA-N", "inchikey2D": "CBRBLDIHLMPBCF", "names": [ "3-[(1's,2s,3s,4s,5'r,7'r,10's,13'r,17'r,18'r,21'r)-1',3,4,6',6',10',17',21'-octamethyl-5-oxo-14'-oxaspiro[oxolane-2,15'-pentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicosan]-2'(11')-en-7'-yloxy]-3-oxopropanoic acid", "Fomitopsin E" ], "molecular_formula": "C34H50O7", "smiles": "C[C@@H]1C(=O)O[C@@]2(C[C@@H](C)[C@H]3CC[C@@]4(C)C5=C(C[C@@H](O2)[C@]34C)[C@@]2(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]2CC5)[C@H]1C", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0108670", "npaid": "NPA024016" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "ZYJIVIYINCIQAB-UHFFFAOYSA-N": { "inchikey": "ZYJIVIYINCIQAB-UHFFFAOYSA-N", "inchikey2D": "ZYJIVIYINCIQAB", "names": [ "2-[7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,6-dihydroxy-6-methylheptanoic acid" ], "molecular_formula": "C32H52O6", "smiles": "CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(CCC(O)C(C)(C)O)C(=O)O)C1(C)CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0100861" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "CMFXVXMZKRZFGW-UHFFFAOYSA-N": { "inchikey": "CMFXVXMZKRZFGW-UHFFFAOYSA-N", "inchikey2D": "CMFXVXMZKRZFGW", "names": [ "2-[3-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C33H50O5", "smiles": "C=C(CCC(C(=O)O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C)C(C)C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0104941" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "LBKWQFFXMHXISP-UHFFFAOYSA-N": { "inchikey": "LBKWQFFXMHXISP-UHFFFAOYSA-N", "inchikey2D": "LBKWQFFXMHXISP", "names": [ "5-({1-[1-(3,4-dimethyl-5-oxo-2h-furan-2-yl)propan-2-yl]-11-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoic acid" ], "molecular_formula": "C37H56O8", "smiles": "CC1=C(C)C(CC(C)C2CCC3(C)C4=C(CC(O)C23C)C2(C)CCC(OC(=O)CC(C)(O)CC(=O)O)C(C)(C)C2CC4)OC1=O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0094218" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "ODGNNLIOBJLXBP-KCXSSTEISA-N": { "inchikey": "ODGNNLIOBJLXBP-KCXSSTEISA-N", "inchikey2D": "ODGNNLIOBJLXBP", "names": [ "(1s,3s,8s,9s,10s,13s,16s,21s,22r)-4,4,8,17,17,21-hexamethyl-14,23-dioxo-24,25-dioxahexacyclo[11.11.1.0¹,¹⁰.0³,⁸.0¹³,²².0¹⁶,²¹]pentacosane-9-carboxylic acid" ], "molecular_formula": "C30H44O6", "smiles": "CC1(C)CCC[C@]2(C)[C@@H](C(=O)O)[C@@H]3CC[C@]45O[C@@]3(C[C@@H]12)OC(=O)[C@@H]4[C@@]1(C)CCCC(C)(C)[C@@H]1CC5=O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0192293" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "HQFKTWBTDSANPB-IMOFTLGFSA-N": { "inchikey": "HQFKTWBTDSANPB-IMOFTLGFSA-N", "inchikey2D": "HQFKTWBTDSANPB", "names": [ "(2r)-2-[(1r,2r,3ar,5ar,9as,11ar)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid", "Forpinic acid C" ], "molecular_formula": "C31H46O5", "smiles": "C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(C)C", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0035055", "npaid": "NPA026313" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "LLMXBZDIOIJCEF-GOCHJLPOSA-N": { "inchikey": "LLMXBZDIOIJCEF-GOCHJLPOSA-N", "inchikey2D": "LLMXBZDIOIJCEF", "names": [ "(2r)-2-[(3ar,6s,7s,9br)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C31H48O4", "smiles": "C=C(CC[C@@H](C(=O)O)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC3)C(C)C", "species": [ "[query-hint] Fomitopsis", "[query-hint] Piptoporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0108396" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "GREY:Piptoporus" ] }, "OEQYASIYRZNOIT-UQYGGRIZSA-N": { "inchikey": "OEQYASIYRZNOIT-UQYGGRIZSA-N", "inchikey2D": "OEQYASIYRZNOIT", "names": [ "(1r,3ar,5as,9as,11ar)-1-[(2r)-1-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H48O2", "smiles": "CC(C)=CCC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0107020" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "XLPAINGDLCDYQV-UHFFFAOYSA-N": { "inchikey": "XLPAINGDLCDYQV-UHFFFAOYSA-N", "inchikey2D": "XLPAINGDLCDYQV", "names": [ "2-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-enoic acid" ], "molecular_formula": "C30H46O3", "smiles": "CC(C)=CCCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3", "species": [ "[query-hint] Fomitopsis", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0206732" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Phellinus==Phellinus" ] }, "BMOGLDJYNKJONY-TYDKQVDASA-N": { "inchikey": "BMOGLDJYNKJONY-TYDKQVDASA-N", "inchikey2D": "BMOGLDJYNKJONY", "names": [ "(3r)-3-[(1s,7r,13r,17r,18r)-7-[(3-butoxy-3-oxopropanoyl)oxy]-15-hydroxy-1,6,6,10,17,21-hexamethyl-14-oxapentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicos-2(11)-en-15-yl]-2-methylbutanoic acid", "3α-(3'-butylcarboxyacetoxy)oxepanoquercinic acid C" ], "molecular_formula": "C38H60O8", "smiles": "CCCCOC(=O)CC(=O)O[C@@H]1CCC2(C)C3=C(CCC2C1(C)C)[C@]1(C)CC[C@@H]2[C@H](C)CC(O)([C@H](C)C(C)C(=O)O)O[C@H](C3)C21C", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0189039", "npaid": "NPA011684" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "IRTJPOGBPFQTLQ-YJZGRZCNSA-N": { "inchikey": "IRTJPOGBPFQTLQ-YJZGRZCNSA-N", "inchikey2D": "IRTJPOGBPFQTLQ", "names": [ "(2r,3r,4s,5r)-2,4,5-trihydroxyoxan-3-yl (2r)-2-[(1r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoate", "Fomitoside G" ], "molecular_formula": "C38H60O8", "smiles": "C=C(CC[C@@H](C(=O)O[C@@H]1[C@@H](O)[C@H](O)CO[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(C)C", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0126817", "npaid": "NPA013397" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "NBSBUIQBEPROBM-IMJUUJEHSA-N": { "inchikey": "NBSBUIQBEPROBM-IMJUUJEHSA-N", "inchikey2D": "NBSBUIQBEPROBM", "names": [ "α-elemolic acid" ], "molecular_formula": "C30H48O3", "smiles": "CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0191814" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "LAWBLAWJAKHJFL-UHFFFAOYSA-N": { "inchikey": "LAWBLAWJAKHJFL-UHFFFAOYSA-N", "inchikey2D": "LAWBLAWJAKHJFL", "names": [ "6-{11-hydroxy-7-[(3-methoxy-3-oxopropanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2,3-dimethyl-4-oxoheptanoic acid" ], "molecular_formula": "C35H54O8", "smiles": "COC(=O)CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(C)CC(=O)C(C)C(C)C(=O)O)C1(C)C(O)C3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0124053" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "SBQVJLOKEGLUHV-UHFFFAOYSA-N": { "inchikey": "SBQVJLOKEGLUHV-UHFFFAOYSA-N", "inchikey2D": "SBQVJLOKEGLUHV", "names": [ "6-{7-[(2-carboxyacetyl)oxy]-11-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylidene-4-oxoheptanoic acid" ], "molecular_formula": "C34H50O8", "smiles": "C=C(C(=O)CC(C)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CCC(OC(=O)CC(=O)O)C(C)(C)C1CC3)C(C)C(=O)O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0261909" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "XQRIYUSVJDZWFP-DBXXCMFKSA-N": { "inchikey": "XQRIYUSVJDZWFP-DBXXCMFKSA-N", "inchikey2D": "XQRIYUSVJDZWFP", "names": [ "(2r,5s)-2-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylhept-6-enoic acid" ], "molecular_formula": "C31H48O3", "smiles": "C=C(C)[C@@H](C)CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0125985" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "CMOURCLAHTYFHZ-DKVXBBFISA-N": { "inchikey": "CMOURCLAHTYFHZ-DKVXBBFISA-N", "inchikey2D": "CMOURCLAHTYFHZ", "names": [ "(2r,3r,4s,5r)-2,4,5-trihydroxyoxan-3-yl (2r)-2-[(1r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoate", "Fomitoside F" ], "molecular_formula": "C37H58O8", "smiles": "CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O)[C@@]1(C)CC3", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0121824", "npaid": "NPA009610" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, 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}, "ZKQRGSXITBHHPC-AKDXRIPSSA-N": { "inchikey": "ZKQRGSXITBHHPC-AKDXRIPSSA-N", "inchikey2D": "ZKQRGSXITBHHPC", "names": [ "(1r,3as,7s,9ar,9br,11ar)-1-[(2r,5r)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C28H46O", "smiles": "CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0266296" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "VJQVBVZQNXBUMB-UHFFFAOYSA-N": { "inchikey": "VJQVBVZQNXBUMB-UHFFFAOYSA-N", "inchikey2D": "VJQVBVZQNXBUMB", "names": [ "3-({1-[1-(3,4-dimethyl-5-oxo-2h-furan-2-yl)propan-2-yl]-11-hydroxy-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl}oxy)-3-oxopropanoic acid" ], "molecular_formula": "C34H48O8", "smiles": 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"(2s,5s)-2-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,6-dihydroxy-6-methylheptanoic acid" ], "molecular_formula": "C30H48O5", "smiles": "CC(C)(O)[C@@H](O)CC[C@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0141764" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "OEQYASIYRZNOIT-KTKIDDBTSA-N": { "inchikey": "OEQYASIYRZNOIT-KTKIDDBTSA-N", "inchikey2D": "OEQYASIYRZNOIT", "names": [ "(1r,3ar,5ar,9as,11ar)-1-[(2r)-1-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one", "21-hydroxylanosta-8,24-dien-3-one" ], "molecular_formula": "C30H48O2", "smiles": "CC(C)=CCC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3", "species": [ 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"C[C@H](C(=O)O)[C@@H](C)C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0149630" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "UNCRIXDVFRBZSH-HOPYIEMWSA-N": { "inchikey": "UNCRIXDVFRBZSH-HOPYIEMWSA-N", "inchikey2D": "UNCRIXDVFRBZSH", "names": [ "(2r)-2-hydroxy-n-[(2s,3r,4e,8e)-3-hydroxy-9-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]tetradecanimidic acid" ], "molecular_formula": "C39H73NO9", "smiles": "CCCCCCCCCCCC[C@@H](O)C(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\\C)CCCCCCCCC", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0159508" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "RBSWPLGAXXFHGY-UHFFFAOYSA-N": { "inchikey": "RBSWPLGAXXFHGY-UHFFFAOYSA-N", "inchikey2D": "RBSWPLGAXXFHGY", "names": [ "6-[7-(acetyloxy)-11-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C33H52O5", "smiles": "C=C(CCC(C)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(C)C(=O)O", "species": [ "[query-hint] Fomitopsis", "[query-hint] Piptoporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0272935" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "GREY:Piptoporus" ] }, "KKEFNIPVRNZVIF-UHFFFAOYSA-N": { "inchikey": "KKEFNIPVRNZVIF-UHFFFAOYSA-N", "inchikey2D": "KKEFNIPVRNZVIF", "names": [ "3-hydroxy-1-(1-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H46O3", "smiles": "CC(C)=CCCC(CO)C1CC(O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0138528" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "IEILXEYYPYUMKW-UHFFFAOYSA-N": { "inchikey": "IEILXEYYPYUMKW-UHFFFAOYSA-N", "inchikey2D": "IEILXEYYPYUMKW", "names": [ "ethyl 6-chloro-2-oxo-4-phenylchromene-3-carboxylate" ], "molecular_formula": "C18H13ClO4", "smiles": "CCOC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2oc1=O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0154584" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "SRDNLMOBFKJOSD-ADOTZKCHSA-N": { "inchikey": "SRDNLMOBFKJOSD-ADOTZKCHSA-N", "inchikey2D": "SRDNLMOBFKJOSD", "names": [ "(2r)-2-[(1r,2r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid", "Formipinic acid C" ], "molecular_formula": "C32H50O5", "smiles": "CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)C[C@@H](O)[C@H]([C@@H](CCC=C(C)C)C(=O)O)[C@@]1(C)CC3", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0194312", "npaid": "NPA026318" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "VNTQFTKZIBNIBU-INIQLGEBSA-N": { "inchikey": "VNTQFTKZIBNIBU-INIQLGEBSA-N", "inchikey2D": "VNTQFTKZIBNIBU", "names": [ "(2s,3r,6r)-6-[(1r,3ar,5ar,7r,9as,11r,11ar)-11-hydroxy-7-[(3-methoxy-3-oxopropanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dimethyl-4-oxoheptanoic acid" ], "molecular_formula": "C35H52O9", "smiles": "COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CC(=O)[C@H](C)[C@H](C)C(=O)O)[C@@]1(C)[C@H](O)C3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0259806" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "KBZOWVQYHZLSSX-DIQRFASRSA-N": { "inchikey": "KBZOWVQYHZLSSX-DIQRFASRSA-N", "inchikey2D": "KBZOWVQYHZLSSX", "names": [ "dehydroeburiconic acid" ], "molecular_formula": "C31H48O3", "smiles": "C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)C", "species": [ "[query-hint] Fomitopsis", "[query-hint] Wolfiporia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0138142" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Wolfiporia==Wolfiporia" ] }, "KKEFNIPVRNZVIF-VIXUXDSXSA-N": { "inchikey": "KKEFNIPVRNZVIF-VIXUXDSXSA-N", "inchikey2D": "KKEFNIPVRNZVIF", "names": [ "(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-1-[(2r)-1-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H46O3", "smiles": "CC(C)=CCC[C@@H](CO)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0164201" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "FKAIFDOROOLHBN-UHFFFAOYSA-N": { "inchikey": "FKAIFDOROOLHBN-UHFFFAOYSA-N", "inchikey2D": "FKAIFDOROOLHBN", "names": [ "3-({1-[1-(3,4-dimethyl-5-oxo-2h-furan-2-yl)propan-2-yl]-11-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl}oxy)-3-oxopropanoic acid" ], "molecular_formula": "C34H50O7", "smiles": "CC1=C(C)C(CC(C)C2CCC3(C)C4=C(CC(O)C23C)C2(C)CCC(OC(=O)CC(=O)O)C(C)(C)C2CC4)OC1=O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0160306" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "QBLJMSZQHKTGMS-ABPJCGGPSA-N": { "inchikey": "QBLJMSZQHKTGMS-ABPJCGGPSA-N", "inchikey2D": "QBLJMSZQHKTGMS", "names": [ "(2s,6r)-6-[(1r,3as,5ar,7r,9as,11ar)-7-{[(3s)-3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl]oxy}-3a,6,6,9a,11a-pentamethyl-11-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid", "Palustrisoic acid F" ], "molecular_formula": "C38H58O8", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC(=O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@@](C)(O)CC(=O)OC)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0149431", "npaid": "NPA023729" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "WBWPNIVYRIGGKO-JRPBHGLZSA-N": { "inchikey": "WBWPNIVYRIGGKO-JRPBHGLZSA-N", "inchikey2D": "WBWPNIVYRIGGKO", "names": [ "1-[(1s,3ar,5ar,7r,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone" ], "molecular_formula": "C24H38O2", "smiles": "CC(=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0140534" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "XKYJBQWATZUMSB-UHFFFAOYSA-N": { "inchikey": "XKYJBQWATZUMSB-UHFFFAOYSA-N", "inchikey2D": "XKYJBQWATZUMSB", "names": [ "3a,6,6,9a,11a-pentamethyl-1-(6-methylhept-5-en-2-yl)-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H46O", "smiles": "CC(C)=CCCC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0149917" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "QHXWUJIUYIBLAR-UHFFFAOYSA-N": { "inchikey": "QHXWUJIUYIBLAR-UHFFFAOYSA-N", "inchikey2D": "QHXWUJIUYIBLAR", "names": [ "7-hydroxy-2-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C31H48O5", "smiles": "C=C(CCC(C(=O)O)C1CC(O)C2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(C)CO", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0161175" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "UGMQOYZVOPASJF-OXUZYLMNSA-N": { "inchikey": "UGMQOYZVOPASJF-OXUZYLMNSA-N", "inchikey2D": "UGMQOYZVOPASJF", "names": [ "(2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C31H50O3", "smiles": "C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C", "species": [ "[query-hint] Fomitopsis", "[query-hint] Phellinus", "[query-hint] Wolfiporia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0160111" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Phellinus==Phellinus", "INCLUDE:Wolfiporia==Wolfiporia" ] }, "FVOOCQKPVCFFSH-UHFFFAOYSA-N": { "inchikey": "FVOOCQKPVCFFSH-UHFFFAOYSA-N", "inchikey2D": "FVOOCQKPVCFFSH", "names": [ "2-[3-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C33H48O5", "smiles": "C=C(CCC(C(=O)O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)C(C)C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0148748" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "YYXSUQQUWMLOOB-YTXTXJHMSA-N": { "inchikey": "YYXSUQQUWMLOOB-YTXTXJHMSA-N", "inchikey2D": "YYXSUQQUWMLOOB", "names": [ "(5E,7E,9)-decatrien-2-one", "(5e,7e)-deca-5,7,9-trien-2-one" ], "molecular_formula": "C10H14O", "smiles": "C=C/C=C/C=C/CCC(C)=O", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0227971", "npaid": "NPA026362" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "ISGRMNPUIMBAKG-UHFFFAOYSA-N": { "inchikey": "ISGRMNPUIMBAKG-UHFFFAOYSA-N", "inchikey2D": "ISGRMNPUIMBAKG", "names": [ "6-hydroxy-2-{2-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-methylhept-4-enoic acid" ], "molecular_formula": "C30H44O5", "smiles": "CC(C)(O)C=CCC(C(=O)O)C1C(O)CC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C", "species": [ "[query-hint] Fomitopsis", "[query-hint] Piptoporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0114720" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "GREY:Piptoporus" ] }, "VDYCLYGKCGVBHN-UHFFFAOYSA-N": { "inchikey": "VDYCLYGKCGVBHN-UHFFFAOYSA-N", "inchikey2D": "VDYCLYGKCGVBHN", "names": [ "pachymic acid" ], "molecular_formula": "C33H52O5", "smiles": "C=C(CCC(C(=O)O)C1C(O)CC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(C)C", "species": [ "[query-hint] Fomitopsis", "[query-hint] Ganoderma", "[query-hint] Wolfiporia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0074885" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Wolfiporia==Wolfiporia" ] }, "SBQVJLOKEGLUHV-PHWQKKSBSA-N": { "inchikey": "SBQVJLOKEGLUHV-PHWQKKSBSA-N", "inchikey2D": "SBQVJLOKEGLUHV", "names": [ "(6r)-6-[(1r,3as,5ar,7r,9as,11r,11ar)-7-[(2-carboxyacetyl)oxy]-11-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylidene-4-oxoheptanoic acid", "Fomitopsin A" ], "molecular_formula": "C34H50O8", "smiles": "C=C(C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3)C(C)C(=O)O", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0169031", "npaid": "NPA013988" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "FTPANSKMWIDRLL-UHFFFAOYSA-N": { "inchikey": "FTPANSKMWIDRLL-UHFFFAOYSA-N", "inchikey2D": "FTPANSKMWIDRLL", "names": [ "3,4,5-trihydroxyoxan-2-yl 2-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-enoate" ], "molecular_formula": "C35H54O7", "smiles": "CC(C)=CCCC(C(=O)OC1OCC(O)C(O)C1O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0074179" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "RGQTXIRZQWQEOP-SBLYQRGQSA-N": { "inchikey": "RGQTXIRZQWQEOP-SBLYQRGQSA-N", "inchikey2D": "RGQTXIRZQWQEOP", "names": [ "(2s,6r)-6-[(1r,3as,5ar,6s,7r,9as,11s,11ar)-7-{[(3s)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy}-11-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C37H58O9", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@@](C)(O)CC(=O)O)[C@](C)(CO)[C@@H]1CC3)[C@H](C)C(=O)O", "species": [ "[query-hint] Fomitopsis", "[query-hint] Piptoporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0108119" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "GREY:Piptoporus" ] }, "CGKSRSYGEXOCNN-UHFFFAOYSA-N": { "inchikey": "CGKSRSYGEXOCNN-UHFFFAOYSA-N", "inchikey2D": "CGKSRSYGEXOCNN", "names": [ "2,4,5-trihydroxyoxan-3-yl 2-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-enoate" ], "molecular_formula": "C35H54O7", "smiles": "CC(C)=CCCC(C(=O)OC1C(O)OCC(O)C1O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0088374" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "LSVNTCUAHYXDMK-UHFFFAOYSA-N": { "inchikey": "LSVNTCUAHYXDMK-UHFFFAOYSA-N", "inchikey2D": "LSVNTCUAHYXDMK", "names": [ "2,4,5-trihydroxyoxan-3-yl 2-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methyl-5-methylideneheptanoate" ], "molecular_formula": "C36H56O7", "smiles": "C=C(CCC(C(=O)OC1C(O)OCC(O)C1O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(C)C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0231037" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "PWWSRMQRHVOIKE-BCAWIUIXSA-N": { "inchikey": "PWWSRMQRHVOIKE-BCAWIUIXSA-N", "inchikey2D": "PWWSRMQRHVOIKE", "names": [ "(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoate" ], "molecular_formula": "C36H58O8", "smiles": "CC(C)=CCC[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0091758" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "UREYGWKJWUPQSC-UHFFFAOYSA-N": { "inchikey": "UREYGWKJWUPQSC-UHFFFAOYSA-N", "inchikey2D": "UREYGWKJWUPQSC", "names": [ "6-{7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2,3-dimethyl-4-oxoheptanoic acid" ], "molecular_formula": "C31H50O5", "smiles": "CC(CC(=O)C(C)C(C)C(=O)O)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0168620" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "FTPANSKMWIDRLL-QDVPQEPLSA-N": { "inchikey": "FTPANSKMWIDRLL-QDVPQEPLSA-N", "inchikey2D": "FTPANSKMWIDRLL", "names": [ "(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl (2r)-2-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoate" ], "molecular_formula": "C35H54O7", "smiles": "CC(C)=CCC[C@@H](C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0267016" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "SVNICXKSXGSPGN-UHFFFAOYSA-N": { "inchikey": "SVNICXKSXGSPGN-UHFFFAOYSA-N", "inchikey2D": "SVNICXKSXGSPGN", "names": [ "6-{11-hydroxy-7-[(3-methoxy-3-oxopropanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C35H52O8", "smiles": "C=C(CCC(C)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CCC(OC(=O)CC(=O)OC)C(C)(C)C1CC3=O)C(C)C(=O)O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0178070" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "VVGQXMOSIRGYCB-TZNBBGRUSA-N": { "inchikey": "VVGQXMOSIRGYCB-TZNBBGRUSA-N", "inchikey2D": "VVGQXMOSIRGYCB", "names": [ "(2s,6r)-6-[(1r,3as,5r,5ar,7s,9as,11s,11ar)-7-{[(3s)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy}-5,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid", "Palustrisoic acid A" ], "molecular_formula": "C37H58O9", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)C(C)(C)[C@@H]1[C@H](O)C3)[C@H](C)C(=O)O", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0172399", "npaid": "NPA023722" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "FQQMLVSIEXRTOS-KTKIDDBTSA-N": { "inchikey": "FQQMLVSIEXRTOS-KTKIDDBTSA-N", "inchikey2D": "FQQMLVSIEXRTOS", "names": [ "(1r,3ar,5ar,9as,11ar)-1-[(2r)-1-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one", "21-hydroxylanosta-7 : 9( 11) -24-trien-3-one" ], "molecular_formula": "C30H46O2", "smiles": "CC(C)=CCC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0183410", "npaid": "NPA010290" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Polyporus==Polyporus" ] }, "RRLWMWALKOEVJX-HOSBDSGNSA-N": { "inchikey": "RRLWMWALKOEVJX-HOSBDSGNSA-N", "inchikey2D": "RRLWMWALKOEVJX", "names": [ "(2r)-2-[(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C31H48O4", "smiles": "C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0187936" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "RIZIAUKTHDLMQX-NSWGQNMASA-N": { "inchikey": "RIZIAUKTHDLMQX-NSWGQNMASA-N", "inchikey2D": "RIZIAUKTHDLMQX", "names": [ "(2r)-2-hydroxy-n-[(2s,3r,4e,8e)-3-hydroxy-9-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]octadecanimidic acid" ], "molecular_formula": "C43H81NO9", "smiles": "CCCCCCCCCCCCCCCC[C@@H](O)C(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\\C)CCCCCCCCC", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0179643" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "WOAOVYIRRFOGFW-DIBUQIFNSA-N": { "inchikey": "WOAOVYIRRFOGFW-DIBUQIFNSA-N", "inchikey2D": "WOAOVYIRRFOGFW", "names": [ "(2s,6r)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-{[(3s)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy}-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-7-hydroxy-2-methyl-3-methylideneheptanoic acid", "Palustrisoic acid D" ], "molecular_formula": "C37H58O8", "smiles": "C=C(CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0160901", "npaid": "NPA023727" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "JJYYLQGYXTZKMO-UHFFFAOYSA-N": { "inchikey": "JJYYLQGYXTZKMO-UHFFFAOYSA-N", "inchikey2D": "JJYYLQGYXTZKMO", "names": [ "6-{11-hydroxy-7-[(3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C38H60O8", "smiles": "C=C(CCC(C)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CCC(OC(=O)CC(C)(O)CC(=O)OC)C(C)(C)C1CC3)C(C)C(=O)O", "species": [ "[query-hint] Fomitopsis", "[query-hint] Piptoporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0174720" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "GREY:Piptoporus" ] }, "JVTKEEUUSBPFFJ-NGPOTDMGSA-N": { "inchikey": "JVTKEEUUSBPFFJ-NGPOTDMGSA-N", "inchikey2D": "JVTKEEUUSBPFFJ", "names": [ "3-[(1'r,2s,2'r,3s,4s,5's,8'r,10'r,14'r,17'r,18'r)-2'-hydroxy-3,4,5',9',9',14',18'-heptamethyl-5,12'-dioxo-21'-oxaspiro[oxolane-2,20'-pentacyclo[12.8.0.0¹,¹⁷.0⁴,¹³.0⁵,¹⁰]docosan]-4'(13')-en-8'-yloxy]-3-oxopropanoic acid" ], "molecular_formula": "C34H48O9", "smiles": "C[C@@H]1C(=O)O[C@@]2(C[C@@H](C)[C@H]3CC[C@@]4(C)C5=C(C[C@@H](O)[C@]34CO2)[C@@]2(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]2CC5=O)[C@H]1C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0174152" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "GCGLPSVDVGXRFN-AMKDLFIQSA-N": { "inchikey": "GCGLPSVDVGXRFN-AMKDLFIQSA-N", "inchikey2D": "GCGLPSVDVGXRFN", "names": [ "Fomitopinic acid A", "fomitopinic acid a" ], "molecular_formula": "C30H48O5", "smiles": "CC(C)(O)[C@@H](O)CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3", "species": [ "[npatlas-query] Fomitopsis", 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"UNCRIXDVFRBZSH-UHFFFAOYSA-N", "inchikey2D": "UNCRIXDVFRBZSH", "names": [ "2-hydroxy-n-(3-hydroxy-9-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl)tetradecanimidic acid" ], "molecular_formula": "C39H73NO9", "smiles": "CCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=C(C)CCCCCCCCC", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0088296" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "JIESWXRJWVOIGO-UHFFFAOYSA-N": { "inchikey": "JIESWXRJWVOIGO-UHFFFAOYSA-N", "inchikey2D": "JIESWXRJWVOIGO", "names": [ "2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl 2-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-enoate" ], "molecular_formula": "C36H58O8", "smiles": "CC(C)=CCCC(C(=O)OC1C(O)OC(CO)C(O)C1O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0091417" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "VNTQFTKZIBNIBU-UHFFFAOYSA-N": { "inchikey": "VNTQFTKZIBNIBU-UHFFFAOYSA-N", "inchikey2D": "VNTQFTKZIBNIBU", "names": [ "6-{11-hydroxy-7-[(3-methoxy-3-oxopropanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2,3-dimethyl-4-oxoheptanoic acid" ], "molecular_formula": "C35H52O9", "smiles": "COC(=O)CC(=O)OC1CCC2(C)C3=C(C(=O)CC2C1(C)C)C1(C)CCC(C(C)CC(=O)C(C)C(C)C(=O)O)C1(C)C(O)C3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0084187" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "HMOMGSPWDYKCAH-UHFFFAOYSA-N": { "inchikey": "HMOMGSPWDYKCAH-UHFFFAOYSA-N", "inchikey2D": "HMOMGSPWDYKCAH", "names": [ 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}, "UREYGWKJWUPQSC-VRKVXRBASA-N": { "inchikey": "UREYGWKJWUPQSC-VRKVXRBASA-N", "inchikey2D": "UREYGWKJWUPQSC", "names": [ "(2s,3r,6r)-6-[(1r,3as,5ar,7r,9as,11r,11ar)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dimethyl-4-oxoheptanoic acid" ], "molecular_formula": "C31H50O5", "smiles": "C[C@H](C(=O)O)[C@@H](C)C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0084011" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "CBRBLDIHLMPBCF-UJIWJRMISA-N": { "inchikey": "CBRBLDIHLMPBCF-UJIWJRMISA-N", "inchikey2D": "CBRBLDIHLMPBCF", "names": [ "3-[(1's,2s,3r,4r,5'r,7'r,10's,13'r,17'r,18'r,21'r)-1',3,4,6',6',10',17',21'-octamethyl-5-oxo-14'-oxaspiro[oxolane-2,15'-pentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicosan]-2'(11')-en-7'-yloxy]-3-oxopropanoic acid", "Fomitopsin C" ], "molecular_formula": "C34H50O7", "smiles": "C[C@@H]1C[C@@]2(OC(=O)[C@H](C)[C@H]2C)O[C@@H]2CC3=C(CC[C@H]4C(C)(C)[C@H](OC(=O)CC(=O)O)CC[C@]34C)[C@]3(C)CC[C@H]1[C@@]23C", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0219988", "npaid": "NPA012725" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "UGMQOYZVOPASJF-UHFFFAOYSA-N": { "inchikey": "UGMQOYZVOPASJF-UHFFFAOYSA-N", "inchikey2D": "UGMQOYZVOPASJF", "names": [ "2-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C31H50O3", "smiles": "C=C(CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)C", "species": [ "[query-hint] Fomitopsis", "[query-hint] Phellinus", "[query-hint] Wolfiporia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0222126" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Phellinus==Phellinus", "INCLUDE:Wolfiporia==Wolfiporia" ] }, "LSVNTCUAHYXDMK-QFKGRNORSA-N": { "inchikey": "LSVNTCUAHYXDMK-QFKGRNORSA-N", "inchikey2D": "LSVNTCUAHYXDMK", "names": [ "(2r,3r,4s,5r)-2,4,5-trihydroxyoxan-3-yl (2r)-2-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoate", "Fomitoside D" ], "molecular_formula": "C36H56O7", "smiles": "C=C(CC[C@@H](C(=O)O[C@@H]1[C@@H](O)[C@H](O)CO[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)C", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0233863", "npaid": "NPA013281" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "MUTPNNQAZRJDSK-UHFFFAOYSA-N": { "inchikey": "MUTPNNQAZRJDSK-UHFFFAOYSA-N", "inchikey2D": "MUTPNNQAZRJDSK", "names": [ "2-{2-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C31H48O4", "smiles": "C=C(CCC(C(=O)O)C1C(O)CC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(C)C", "species": [ "[query-hint] Fomitopsis", "[query-hint] Trametes", "[query-hint] Wolfiporia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0216913" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Trametes==Trametes", "INCLUDE:Wolfiporia==Wolfiporia" ] }, "CRPCVJPUMZQFIS-GCWBXSRQSA-N": { "inchikey": "CRPCVJPUMZQFIS-GCWBXSRQSA-N", "inchikey2D": "CRPCVJPUMZQFIS", "names": [ "(2r)-2-[(3ar,6s,7s,9br)-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C32H50O4", "smiles": "C=C(CC[C@@H](C(=O)O)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC3)C(C)C", "species": [ "[query-hint] Fomitopsis", "[query-hint] Piptoporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0185738" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "GREY:Piptoporus" ] }, "CGPXQZWXSOOFBC-OQAFIIOUSA-N": { "inchikey": "CGPXQZWXSOOFBC-OQAFIIOUSA-N", "inchikey2D": "CGPXQZWXSOOFBC", "names": [ "(1r,3ar,5as,7s,9as,9br,11ar)-9a,11a-dimethyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl (9z,12z)-octadeca-9,12-dienoate", "3beta-Linoleyloxyergosta-7,24(28)-diene" ], "molecular_formula": "C46H76O2", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0233084", "npaid": "NPA006569" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "SKKGKBYNUUBYFX-UHFFFAOYSA-N": { "inchikey": "SKKGKBYNUUBYFX-UHFFFAOYSA-N", "inchikey2D": "SKKGKBYNUUBYFX", "names": [ "1-[1-(3,4-dimethyl-5-oxo-2h-furan-2-yl)propan-2-yl]-11-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl 1-methyl 3-hydroxy-3-methylpentanedioate" ], "molecular_formula": "C38H58O8", "smiles": "COC(=O)CC(C)(O)CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(C)CC2OC(=O)C(C)=C2C)C1(C)C(O)C3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0158346" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "XZEKQUYJGSOILA-UHFFFAOYSA-N": { "inchikey": "XZEKQUYJGSOILA-UHFFFAOYSA-N", "inchikey2D": "XZEKQUYJGSOILA", "names": [ "2-{3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C31H50O4", "smiles": "C=C(CCC(C(=O)O)C1CC(O)C2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0029767" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "BMOGLDJYNKJONY-UHFFFAOYSA-N": { "inchikey": "BMOGLDJYNKJONY-UHFFFAOYSA-N", "inchikey2D": "BMOGLDJYNKJONY", "names": [ "3-{7-[(3-butoxy-3-oxopropanoyl)oxy]-15-hydroxy-1,6,6,10,17,21-hexamethyl-14-oxapentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicos-2(11)-en-15-yl}-2-methylbutanoic acid" ], "molecular_formula": "C38H60O8", "smiles": "CCCCOC(=O)CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC2C(C)CC(O)(C(C)C(C)C(=O)O)OC(C3)C21C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0175090" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "RGQTXIRZQWQEOP-JCVKKWOASA-N": { "inchikey": "RGQTXIRZQWQEOP-JCVKKWOASA-N", "inchikey2D": "RGQTXIRZQWQEOP", "names": [ "(2s,6r)-6-[(1r,3as,5ar,6s,7r,9as,11s,11ar)-7-[(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy]-11-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C37H58O9", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(C)(O)CC(=O)O)[C@](C)(CO)[C@@H]1CC3)[C@H](C)C(=O)O", "species": [ "[query-hint] Fomitopsis", "[query-hint] Piptoporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0047001" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "GREY:Piptoporus" ] }, "LAWBLAWJAKHJFL-QIGXFMRVSA-N": { "inchikey": "LAWBLAWJAKHJFL-QIGXFMRVSA-N", "inchikey2D": "LAWBLAWJAKHJFL", "names": [ "(2s,3r,6r)-6-[(1r,3as,5ar,7r,9as,11r,11ar)-11-hydroxy-7-[(3-methoxy-3-oxopropanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dimethyl-4-oxoheptanoic acid" ], "molecular_formula": "C35H54O8", "smiles": "COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CC(=O)[C@H](C)[C@H](C)C(=O)O)[C@@]1(C)[C@H](O)C3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0035071" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "GJVCIBWZBCDVEX-UHFFFAOYSA-N": { "inchikey": "GJVCIBWZBCDVEX-UHFFFAOYSA-N", "inchikey2D": "GJVCIBWZBCDVEX", "names": [ "3,4,5-trihydroxyoxan-2-yl 2-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-5-hydroxy-6-methylhept-6-enoate" ], "molecular_formula": "C35H54O8", "smiles": "C=C(C)C(O)CCC(C(=O)OC1OCC(O)C(O)C1O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0018642" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "FKAIFDOROOLHBN-MSPYFRFISA-N": { "inchikey": "FKAIFDOROOLHBN-MSPYFRFISA-N", "inchikey2D": "FKAIFDOROOLHBN", "names": [ "3-{[(1r,3as,5ar,7r,9as,11s,11ar)-1-[(2r)-1-[(2s)-3,4-dimethyl-5-oxo-2h-furan-2-yl]propan-2-yl]-11-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3-oxopropanoic acid", "Palustrisolide D" ], "molecular_formula": "C34H50O7", "smiles": "CC1=C(C)[C@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C[C@H](O)[C@]23C)[C@@]2(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]2CC4)OC1=O", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0170764", "npaid": "NPA023720" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "SYYMLPJRZHTLKJ-LNISQLTRSA-N": { "inchikey": "SYYMLPJRZHTLKJ-LNISQLTRSA-N", "inchikey2D": "SYYMLPJRZHTLKJ", "names": [ "(1r,3s,3ar,5ar,7s,9as,11ar)-1-[(2r)-1-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthrene-3,7-diol", "Pinicolol B" ], "molecular_formula": "C30H48O3", "smiles": "CC(C)=CCC[C@@H](CO)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0004144", "npaid": "NPA009640" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "GCOVSCFNHYMESP-AZKHBSDNSA-N": { "inchikey": "GCOVSCFNHYMESP-AZKHBSDNSA-N", "inchikey2D": "GCOVSCFNHYMESP", "names": [ "(2r)-2-[(1r,3ar,5s,5ar,9as,11ar)-5-hydroxy-3a,6,6,9a,11a-pentamethyl-2,7-dioxo-1h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid", "Formipinic acid E" ], "molecular_formula": "C30H44O5", "smiles": "CC(C)=CCC[C@@H](C(=O)O)[C@H]1C(=O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1[C@@H](O)C3", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0003447", "npaid": "NPA026307" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "JJYYLQGYXTZKMO-SLZMFQOSSA-N": { "inchikey": "JJYYLQGYXTZKMO-SLZMFQOSSA-N", "inchikey2D": "JJYYLQGYXTZKMO", "names": [ "(2s,6r)-6-[(1r,3as,5ar,7r,9as,11s,11ar)-11-hydroxy-7-{[(3s)-3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl]oxy}-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C38H60O8", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@@](C)(O)CC(=O)OC)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O", "species": [ "[query-hint] Fomitopsis", "[query-hint] Piptoporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0236324" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "GREY:Piptoporus" ] }, "OSACBIMFKXGCAD-HOSBDSGNSA-N": { "inchikey": "OSACBIMFKXGCAD-HOSBDSGNSA-N", "inchikey2D": "OSACBIMFKXGCAD", "names": [ "(2r)-2-[(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C31H46O4", "smiles": "C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0180555" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "PWWSRMQRHVOIKE-UHFFFAOYSA-N": { "inchikey": "PWWSRMQRHVOIKE-UHFFFAOYSA-N", "inchikey2D": "PWWSRMQRHVOIKE", "names": [ "3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-enoate" ], "molecular_formula": "C36H58O8", "smiles": "CC(C)=CCCC(C(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0159989" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "WBWPNIVYRIGGKO-UHFFFAOYSA-N": { "inchikey": "WBWPNIVYRIGGKO-UHFFFAOYSA-N", "inchikey2D": "WBWPNIVYRIGGKO", "names": [ "1-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}ethanone" ], "molecular_formula": "C24H38O2", "smiles": "CC(=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0155980" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "JSPNNZKWADNWHI-PNANGNLXSA-N": { "inchikey": "JSPNNZKWADNWHI-PNANGNLXSA-N", "inchikey2D": "JSPNNZKWADNWHI", "names": [ "(2S,3R,4E,8E)‐1‐(β‐d‐glucopyranosyl)‐3‐hydroxy‐2‐[(R)‐2′‐hydroxyheptadecanoyl]amino‐9‐methyl‐4,8‐octadecadiene", "(2r)-2-hydroxy-n-[(2s,3r,4e,8e)-3-hydroxy-9-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]heptadecanimidic acid" ], "molecular_formula": "C42H79NO9", "smiles": "CCCCCCCCCCCCCCC[C@@H](O)C(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\\C)CCCCCCCCC", "species": [ "[npatlas-query] Polyporus", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0207882", "npaid": "NPA019920" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Polyporus==Polyporus", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "RGQTXIRZQWQEOP-UHFFFAOYSA-N": { "inchikey": "RGQTXIRZQWQEOP-UHFFFAOYSA-N", "inchikey2D": "RGQTXIRZQWQEOP", "names": [ "6-{7-[(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy]-11-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C37H58O9", "smiles": "C=C(CCC(C)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CCC(OC(=O)CC(C)(O)CC(=O)O)C(C)(CO)C1CC3)C(C)C(=O)O", "species": [ "[query-hint] Fomitopsis", "[query-hint] Piptoporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0043174" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "GREY:Piptoporus" ] }, "JVTKEEUUSBPFFJ-UHFFFAOYSA-N": { "inchikey": "JVTKEEUUSBPFFJ-UHFFFAOYSA-N", "inchikey2D": "JVTKEEUUSBPFFJ", "names": [ "3-{2'-hydroxy-3,4,5',9',9',14',18'-heptamethyl-5,12'-dioxo-21'-oxaspiro[oxolane-2,20'-pentacyclo[12.8.0.0¹,¹⁷.0⁴,¹³.0⁵,¹⁰]docosan]-4'(13')-en-8'-yloxy}-3-oxopropanoic acid" ], "molecular_formula": "C34H48O9", "smiles": "CC1CC2(OCC34C(O)CC5=C(C(=O)CC6C5(C)CCC(OC(=O)CC(=O)O)C6(C)C)C3(C)CCC14)OC(=O)C(C)C2C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0162100" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "NLXRBHRYKXMKNJ-UHWFYCGOSA-N": { "inchikey": "NLXRBHRYKXMKNJ-UHWFYCGOSA-N", "inchikey2D": "NLXRBHRYKXMKNJ", "names": [ "fomitoside f" ], "molecular_formula": "C37H58O8", "smiles": "CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)C(=O)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0248526" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "BFYMGDDIRNFEQY-UGYAIEHASA-N": { "inchikey": "BFYMGDDIRNFEQY-UGYAIEHASA-N", "inchikey2D": "BFYMGDDIRNFEQY", "names": [ "(2r)-2-hydroxy-n-[(2s,3r,4e,8e)-3-hydroxy-9-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]pentadecanimidic acid" ], "molecular_formula": "C40H75NO9", "smiles": "CCCCCCCCCCCCC[C@@H](O)C(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\\C)CCCCCCCCC", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0247492" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "MDOFKFYGVBTDAC-RSWXTIEXSA-N": { "inchikey": "MDOFKFYGVBTDAC-RSWXTIEXSA-N", "inchikey2D": "MDOFKFYGVBTDAC", "names": [ "(2r,3r,4s,5r)-2,4,5-trihydroxyoxan-3-yl (2r,5s)-2-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-hydroxy-6-methylhept-6-enoate", "Fomitoside B" ], "molecular_formula": "C35H54O8", "smiles": "C=C(C)[C@@H](O)CC[C@@H](C(=O)O[C@@H]1[C@@H](O)[C@H](O)CO[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0046397", "npaid": "NPA009470" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "MDOFKFYGVBTDAC-UHFFFAOYSA-N": { "inchikey": "MDOFKFYGVBTDAC-UHFFFAOYSA-N", "inchikey2D": "MDOFKFYGVBTDAC", "names": [ "2,4,5-trihydroxyoxan-3-yl 2-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-5-hydroxy-6-methylhept-6-enoate" ], "molecular_formula": "C35H54O8", "smiles": "C=C(C)C(O)CCC(C(=O)OC1C(O)OCC(O)C1O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0185757" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "MXKWCAVFPDCSMF-QNVFLVPBSA-N": { "inchikey": "MXKWCAVFPDCSMF-QNVFLVPBSA-N", "inchikey2D": "MXKWCAVFPDCSMF", "names": [ "(2s,6r)-6-[(1r,3as,5ar,7r,9as,11r,11ar)-11-hydroxy-7-[(3-methoxy-3-oxopropanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylidene-4-oxoheptanoic acid" ], "molecular_formula": "C35H52O8", "smiles": "C=C(C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)OC)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0056493" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "PSXJMKVNDMXDEM-UHFFFAOYSA-N": { "inchikey": "PSXJMKVNDMXDEM-UHFFFAOYSA-N", "inchikey2D": "PSXJMKVNDMXDEM", "names": [ "1-[1-(3,4-dimethyl-5-oxo-2h-furan-2-yl)propan-2-yl]-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h-cyclopenta[a]phenanthren-7-yl 1-methyl 3-hydroxy-3-methylpentanedioate" ], "molecular_formula": "C38H54O8", "smiles": "COC(=O)CC(C)(O)CC(=O)OC1CCC2(C)C3=C(C(=O)CC2C1(C)C)C1(C)CCC(C(C)CC2OC(=O)C(C)=C2C)C1(C)C=C3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0257224" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "OSACBIMFKXGCAD-UHFFFAOYSA-N": { "inchikey": "OSACBIMFKXGCAD-UHFFFAOYSA-N", "inchikey2D": "OSACBIMFKXGCAD", "names": [ "2-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C31H46O4", "smiles": "C=C(CCC(C(=O)O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)C(C)C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0159077" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "XKYJBQWATZUMSB-WUELKCQHSA-N": { "inchikey": "XKYJBQWATZUMSB-WUELKCQHSA-N", "inchikey2D": "XKYJBQWATZUMSB", "names": [ "(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2r)-6-methylhept-5-en-2-yl]-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one", "Agnosterone" ], "molecular_formula": "C30H46O", "smiles": "CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0053102", "npaid": "NPA009662" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "UOJOULYYDYIENL-UHFFFAOYSA-N": { "inchikey": "UOJOULYYDYIENL-UHFFFAOYSA-N", "inchikey2D": "UOJOULYYDYIENL", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl octadeca-9,12-dienoate" ], "molecular_formula": "C46H76O2", "smiles": "CCCCCC=CCC=CCCCCCCCC(=O)OC1CCC2(C)C(CC=C3C2CCC2(C)C3CCC2C(C)C=CC(C)C(C)C)C1", "species": [ "[query-hint] Fomitopsis", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0254144" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AZRLMGWCJSYTGR-UHFFFAOYSA-N": { "inchikey": "AZRLMGWCJSYTGR-UHFFFAOYSA-N", "inchikey2D": "AZRLMGWCJSYTGR", "names": [ "ethyl 7-chloro-2-oxo-4-phenylchromene-3-carboxylate" ], "molecular_formula": "C18H13ClO4", "smiles": "CCOC(=O)c1c(-c2ccccc2)c2ccc(Cl)cc2oc1=O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0184643" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "NZRZLXWKPHKFOS-QAZKNGSXSA-N": { "inchikey": "NZRZLXWKPHKFOS-QAZKNGSXSA-N", "inchikey2D": "NZRZLXWKPHKFOS", "names": [ "(1r,3ar,7s,9as,9br,11ar)-1-[(2r,5s)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-7-[(9z,12z)-octadeca-9,12-dien-1-yloxy]-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene" ], "molecular_formula": "C46H80O", "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCCO[C@H]1CC[C@@]2(C)C(CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CC[C@H](C)C(C)C)C1", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0253593" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "SMFKZHQECCGQOH-KORAXWRNSA-N": { "inchikey": "SMFKZHQECCGQOH-KORAXWRNSA-N", "inchikey2D": "SMFKZHQECCGQOH", "names": [ "(2r)-2-[(1r,3ar,7r,9as,11ar)-7-[(3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid", "3α-(4-carboxymethyl-3-hydroxy-3-methylbutanoyloxy)-lanosta-8,24-dien-21-oic acid" ], "molecular_formula": "C37H58O7", "smiles": "COC(=O)CC(C)(O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CCC2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)C(=O)O)[C@@]1(C)CC3", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0258937", "npaid": "NPA019097" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "YBSQGNFRWZKFMJ-UHFFFAOYSA-N": { "inchikey": "YBSQGNFRWZKFMJ-UHFFFAOYSA-N", "inchikey2D": "YBSQGNFRWZKFMJ", "names": [ "2-hydroxy-n-(3-hydroxy-9-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl)hexadecanimidic acid" ], "molecular_formula": "C41H77NO9", "smiles": "CCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=C(C)CCCCCCCCC", "species": [ "[query-hint] Fomitopsis", "[query-hint] Phellinus", "[query-hint] Termitomyces" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0266034" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Phellinus==Phellinus", "INCLUDE:Termitomyces==Termitomyces" ] }, "SXYOHWHWZQDZED-YAIYFESBSA-N": { "inchikey": "SXYOHWHWZQDZED-YAIYFESBSA-N", "inchikey2D": "SXYOHWHWZQDZED", "names": [ "3-{[(2r)-2-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-en-1-yl]oxy}-3-oxopropanoic acid", "Fomitopsic acid B" ], "molecular_formula": "C33H48O5", "smiles": "CC(C)=CCC[C@@H](COC(=O)CC(=O)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0061878", "npaid": "NPA001685" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "YMMNFUJNCOWQRX-UHFFFAOYSA-N": { "inchikey": "YMMNFUJNCOWQRX-UHFFFAOYSA-N", "inchikey2D": "YMMNFUJNCOWQRX", "names": [ "piptamine(antibiotic)" ], "molecular_formula": "C23H41N", "smiles": "CCCCCCCCCCCCCCCN(C)Cc1ccccc1", "species": [ "[query-hint] Fomitopsis", "[query-hint] Piptoporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0049039" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "GREY:Piptoporus" ] }, "QHXWUJIUYIBLAR-NABYPERTSA-N": { "inchikey": "QHXWUJIUYIBLAR-NABYPERTSA-N", "inchikey2D": "QHXWUJIUYIBLAR", "names": [ "(2r,6r)-2-[(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-7-hydroxy-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C31H48O5", "smiles": "C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)[C@@H](C)CO", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0051542" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "HTGWSKSPVBICQE-UHFFFAOYSA-N": { "inchikey": "HTGWSKSPVBICQE-UHFFFAOYSA-N", "inchikey2D": "HTGWSKSPVBICQE", "names": [ "7-chloro-4-phenylchromen-2-one" ], "molecular_formula": "C15H9ClO2", "smiles": "O=c1cc(-c2ccccc2)c2ccc(Cl)cc2o1", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0052855" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "SXYOHWHWZQDZED-UHFFFAOYSA-N": { "inchikey": "SXYOHWHWZQDZED-UHFFFAOYSA-N", "inchikey2D": "SXYOHWHWZQDZED", "names": [ "3-[(2-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-en-1-yl)oxy]-3-oxopropanoic acid" ], "molecular_formula": "C33H48O5", "smiles": "CC(C)=CCCC(COC(=O)CC(=O)O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0006177" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "NRYFNXVGUMXREY-LGQLIDHKSA-N": { "inchikey": "NRYFNXVGUMXREY-LGQLIDHKSA-N", "inchikey2D": "NRYFNXVGUMXREY", "names": [ "(6r)-6-[(1r,3as,5ar,7s,9as,11s,11ar)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C31H50O4", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C(=O)O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0038473" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "DPGIZEKTZBZVBZ-MIDHOLSSSA-N": { "inchikey": "DPGIZEKTZBZVBZ-MIDHOLSSSA-N", "inchikey2D": "DPGIZEKTZBZVBZ", "names": [ "(1s,2s,3s,4ar,6r,8as)-3,6-dihydroxy-2,5,5,8a-tetramethyl-octahydronaphthalene-1-carboxylic acid" ], "molecular_formula": "C15H26O4", "smiles": "C[C@@H]1[C@@H](O)C[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1C(=O)O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0275599" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "SHELUKOQOGXTLD-ZDFZJNRPSA-N": { "inchikey": "SHELUKOQOGXTLD-ZDFZJNRPSA-N", "inchikey2D": "SHELUKOQOGXTLD", "names": [ "(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2r)-2-[(3r,3ar,6s,7s,9br)-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoate", "Formipinioside" ], "molecular_formula": "C37H58O9", "smiles": "C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]([C@@H](CCC=C(C)C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]23C)[C@@]1(C)CCC(=O)OC", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0005273", "npaid": "NPA026309" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "FIWGZIBLJWZUEA-UHFFFAOYSA-N": { "inchikey": "FIWGZIBLJWZUEA-UHFFFAOYSA-N", "inchikey2D": "FIWGZIBLJWZUEA", "names": [ "2-[7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid" ], "molecular_formula": "C32H50O4", "smiles": "CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(CCC=C(C)C)C(=O)O)C1(C)CC3", "species": [ "[query-hint] Fomitopsis", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0133937" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZYJIVIYINCIQAB-VMLOCIKXSA-N": { "inchikey": "ZYJIVIYINCIQAB-VMLOCIKXSA-N", "inchikey2D": "ZYJIVIYINCIQAB", "names": [ "(2r,5s)-2-[(1r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,6-dihydroxy-6-methylheptanoic acid", "Fomitopinic acid B" ], "molecular_formula": "C32H52O6", "smiles": "CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CC[C@H](O)C(C)(C)O)C(=O)O)[C@@]1(C)CC3", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0067686", "npaid": "NPA018926" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "CBRBLDIHLMPBCF-HBKINVFDSA-N": { "inchikey": "CBRBLDIHLMPBCF-HBKINVFDSA-N", "inchikey2D": "CBRBLDIHLMPBCF", "names": [ "3-[(1's,2r,3s,4s,5'r,7'r,10's,13'r,17'r,18'r,21'r)-1',3,4,6',6',10',17',21'-octamethyl-5-oxo-14'-oxaspiro[oxolane-2,15'-pentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicosan]-2'(11')-en-7'-yloxy]-3-oxopropanoic acid", "Fomitopsin F" ], "molecular_formula": "C34H50O7", "smiles": "C[C@@H]1C(=O)O[C@]2(C[C@@H](C)[C@H]3CC[C@@]4(C)C5=C(C[C@@H](O2)[C@]34C)[C@@]2(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]2CC5)[C@H]1C", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0066053", "npaid": "NPA024017" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "GMXCDLKAZNOBQD-UHFFFAOYSA-N": { "inchikey": "GMXCDLKAZNOBQD-UHFFFAOYSA-N", "inchikey2D": "GMXCDLKAZNOBQD", "names": [ "1-{5,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}ethanone" ], "molecular_formula": "C24H38O3", "smiles": "CC(=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1C(O)C3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0062577" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "RIZIAUKTHDLMQX-UHFFFAOYSA-N": { "inchikey": "RIZIAUKTHDLMQX-UHFFFAOYSA-N", "inchikey2D": "RIZIAUKTHDLMQX", "names": [ "2-hydroxy-n-(3-hydroxy-9-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl)octadecanimidic acid" ], "molecular_formula": "C43H81NO9", "smiles": "CCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=C(C)CCCCCCCCC", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0002537" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "ASXVTXVWYAWTOQ-STVBAHQGSA-N": { "inchikey": "ASXVTXVWYAWTOQ-STVBAHQGSA-N", "inchikey2D": "ASXVTXVWYAWTOQ", "names": [ "(2r)-2-[(1r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-2-oxo-1h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid", "Formipinic acid D" ], "molecular_formula": "C32H48O5", "smiles": "CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC(=O)[C@H]([C@@H](CCC=C(C)C)C(=O)O)[C@@]1(C)CC3", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0132511", "npaid": "NPA026319" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "JJYYLQGYXTZKMO-OXGHPADBSA-N": { "inchikey": "JJYYLQGYXTZKMO-OXGHPADBSA-N", "inchikey2D": "JJYYLQGYXTZKMO", "names": [ "(2s)-6-[(1r,3as,7r,9as,11s,11ar)-11-hydroxy-7-[(3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C38H60O8", "smiles": "C=C(CCC(C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(C)(O)CC(=O)OC)C(C)(C)C1CC3)[C@H](C)C(=O)O", "species": [ "[query-hint] Fomitopsis", "[query-hint] Piptoporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0033221" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "GREY:Piptoporus" ] }, "CRPCVJPUMZQFIS-UHFFFAOYSA-N": { "inchikey": "CRPCVJPUMZQFIS-UHFFFAOYSA-N", "inchikey2D": "CRPCVJPUMZQFIS", "names": [ "2-[6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C32H50O4", "smiles": "C=C(CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C(C)(CCC(=O)OC)C(C(=C)C)CC3)C(C)C", "species": [ "[query-hint] Fomitopsis", "[query-hint] Piptoporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0016561" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "GREY:Piptoporus" ] }, "RWQINIOQZXZDGZ-UHFFFAOYSA-N": { "inchikey": "RWQINIOQZXZDGZ-UHFFFAOYSA-N", "inchikey2D": "RWQINIOQZXZDGZ", "names": [ "2-{3a,6,6,9a,11a-pentamethyl-2,7-dioxo-1h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-enoic acid" ], "molecular_formula": "C30H44O4", "smiles": "CC(C)=CCCC(C(=O)O)C1C(=O)CC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0010572" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "SZIOXIYBQOPKLK-ILLHTMCHSA-N": { "inchikey": "SZIOXIYBQOPKLK-ILLHTMCHSA-N", "inchikey2D": "SZIOXIYBQOPKLK", "names": [ "(1r,3ar,5ar,7s,9as,11ar)-1-[(2r)-1-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C30H48O2", "smiles": "CC(C)=CCC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Fomitopsis", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0008134" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Polyporus==Polyporus" ] }, "DGVHJZPQGFRVEC-UHFFFAOYSA-N": { "inchikey": "DGVHJZPQGFRVEC-UHFFFAOYSA-N", "inchikey2D": "DGVHJZPQGFRVEC", "names": [ "2-{3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C31H48O4", "smiles": "C=C(CCC(C(=O)O)C1CC(O)C2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C)C(C)C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0011212" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "VPIOXKWGAMMTTQ-UHFFFAOYSA-N": { "inchikey": "VPIOXKWGAMMTTQ-UHFFFAOYSA-N", "inchikey2D": "VPIOXKWGAMMTTQ", "names": [ "1',3,4,6',6',10',17',21'-octamethyl-14'-oxaspiro[oxolane-2,15'-pentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicosan]-2'(11')-ene-5,7'-dione" ], "molecular_formula": "C31H46O4", "smiles": "CC1CC2(OC(=O)C(C)C2C)OC2CC3=C(CCC4C(C)(C)C(=O)CCC34C)C3(C)CCC1C23C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0007807" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "MLULOKGFNLICLC-LXWNUUNISA-N": { "inchikey": "MLULOKGFNLICLC-LXWNUUNISA-N", "inchikey2D": "MLULOKGFNLICLC", "names": [ "(2r,3r,4s,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl (2r)-2-[(1r,3ar,5ar,7r,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoate", "Fomitoside J" ], "molecular_formula": "C37H60O8", "smiles": "C=C(CC[C@@H](C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(C)C", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0025961", "npaid": "NPA007688" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "CLWQVULZKKQARP-UHFFFAOYSA-N": { "inchikey": "CLWQVULZKKQARP-UHFFFAOYSA-N", "inchikey2D": "CLWQVULZKKQARP", "names": [ "3,4,5-trihydroxyoxan-2-yl 2-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methyl-5-methylideneheptanoate" ], "molecular_formula": "C36H56O7", "smiles": "C=C(CCC(C(=O)OC1OCC(O)C(O)C1O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(C)C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0013589" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "HARWQRYVMOWQIV-MUHWKEAKSA-N": { "inchikey": "HARWQRYVMOWQIV-MUHWKEAKSA-N", "inchikey2D": "HARWQRYVMOWQIV", "names": [ "(1r,3ar,7r,9as,11ar)-1-[(2r)-1-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl acetate", "3α-acetyloxylanosta-8,24-diene-21-OL" ], "molecular_formula": "C32H52O3", "smiles": "CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CCC2C1(C)C)[C@]1(C)CC[C@H]([C@H](CO)CCC=C(C)C)[C@@]1(C)CC3", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0001827", "npaid": "NPA018244" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "HHNLQWOVCRXGMP-OHTBPHCPSA-N": { "inchikey": "HHNLQWOVCRXGMP-OHTBPHCPSA-N", "inchikey2D": "HHNLQWOVCRXGMP", "names": [ "(1r,3s,4as,8as)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalene-1-carboxylic acid" ], "molecular_formula": "C15H24O3", "smiles": "C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C(=O)O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0013601" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "WOAOVYIRRFOGFW-VSJVDYLKSA-N": { "inchikey": "WOAOVYIRRFOGFW-VSJVDYLKSA-N", "inchikey2D": "WOAOVYIRRFOGFW", "names": [ "(2s,6r)-6-[(1r,3ar,5ar,7r,9as,11ar)-7-{[(3s)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy}-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-7-hydroxy-2-methyl-3-methylideneheptanoic acid", "Palustrisoic acid E" ], "molecular_formula": "C37H58O8", "smiles": "C=C(CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@@](C)(O)CC(=O)O)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0005052", "npaid": "NPA023728" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "UDBAOVMCUDEARR-WEEUIZGTSA-N": { "inchikey": "UDBAOVMCUDEARR-WEEUIZGTSA-N", "inchikey2D": "UDBAOVMCUDEARR", "names": [ "3-[(1r,1'r,2s,3ar,3'ar,5r,7'r,7as,7'ar)-1'-[(2r)-1-[(2s)-3,4-dimethyl-5-oxo-2h-furan-2-yl]propan-2-yl]-2,7'-dihydroxy-3'a,4,4,7a,7'a-pentamethyl-4'-oxo-decahydro-1'h-1,5'-spirobi[inden]-5-yloxy]-3-oxopropanoic acid" ], "molecular_formula": "C34H50O9", "smiles": "CC1=C(C)[C@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C(=O)[C@@]4(C[C@@H](O)[C@]23C)[C@@H](O)C[C@H]2C(C)(C)[C@H](OC(=O)CC(=O)O)CC[C@@]24C)OC1=O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0121603" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "SGSMRLJTYJLFMA-FPOLEOGZSA-N": { "inchikey": "SGSMRLJTYJLFMA-FPOLEOGZSA-N", "inchikey2D": "SGSMRLJTYJLFMA", "names": [ "(1's,2s,3s,4s,5'r,7'r,10's,13'r,17'r,18'r,21'r)-1',3,4,6',6',10',17',21'-octamethyl-5-oxo-14'-oxaspiro[oxolane-2,15'-pentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicosan]-2'(11')-en-7'-yl acetate" ], "molecular_formula": "C33H50O5", "smiles": "CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@@H]2[C@H](C)C[C@@]4(OC(=O)[C@@H](C)[C@@H]4C)O[C@H](C3)[C@]21C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0016961" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "FPLFOXNTFUNRIC-UHFFFAOYSA-N": { "inchikey": "FPLFOXNTFUNRIC-UHFFFAOYSA-N", "inchikey2D": "FPLFOXNTFUNRIC", "names": [ "2-[2-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C33H48O5", "smiles": "C=C(CCC(C(=O)O)C1C(OC(C)=O)CC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)C(C)C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0053826" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "FIWGZIBLJWZUEA-CAHOJKFZSA-N": { "inchikey": "FIWGZIBLJWZUEA-CAHOJKFZSA-N", "inchikey2D": "FIWGZIBLJWZUEA", "names": [ "(2r)-2-[(1r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid", "Tsugaric acid A" ], "molecular_formula": "C32H50O4", "smiles": "CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)C(=O)O)[C@@]1(C)CC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Fomitopsis", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0260391", "npaid": "NPA006178" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RRLWMWALKOEVJX-UHFFFAOYSA-N": { "inchikey": "RRLWMWALKOEVJX-UHFFFAOYSA-N", "inchikey2D": "RRLWMWALKOEVJX", "names": [ "2-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C31H48O4", "smiles": "C=C(CCC(C(=O)O)C1CC(O)C2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(C)C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0014107" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "NBSBUIQBEPROBM-GIICLEHTSA-N": { "inchikey": "NBSBUIQBEPROBM-GIICLEHTSA-N", "inchikey2D": "NBSBUIQBEPROBM", "names": [ "(+)-trametenolic acid B", "trametenolic acid" ], "molecular_formula": "C30H48O3", "smiles": "CC(C)=CCC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis", "[query-hint] Ganoderma", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus", "[query-hint] Phellinus", "[query-hint] Wolfiporia" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0016957", "npaid": "NPA011620" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "NRYFNXVGUMXREY-MXYSRZERSA-N": { "inchikey": "NRYFNXVGUMXREY-MXYSRZERSA-N", "inchikey2D": "NRYFNXVGUMXREY", "names": [ "(2r,6r)-6-[(1r,3as,5ar,7s,9as,11s,11ar)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C31H50O4", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)[C@@H](C)C(=O)O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0032143" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "AGVCHWQWQGSFDP-XNYUJKQWSA-N": { "inchikey": "AGVCHWQWQGSFDP-XNYUJKQWSA-N", "inchikey2D": "AGVCHWQWQGSFDP", "names": [ "(1r,3ar,5as,7s,9as,11ar)-1-[(2r,5r)-5,6-dimethylhept-3-en-2-yl]-3a,9a,11a-trimethyl-1h,2h,3h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C29H46O", "smiles": "CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0222576" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "FQQMLVSIEXRTOS-UHFFFAOYSA-N": { "inchikey": "FQQMLVSIEXRTOS-UHFFFAOYSA-N", "inchikey2D": "FQQMLVSIEXRTOS", "names": [ "1-(1-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H46O2", "smiles": "CC(C)=CCCC(CO)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C", "species": [ "[query-hint] Fomitopsis", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0008954" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Polyporus==Polyporus" ] }, "GMXCDLKAZNOBQD-OZGLDGIJSA-N": { "inchikey": "GMXCDLKAZNOBQD-OZGLDGIJSA-N", "inchikey2D": "GMXCDLKAZNOBQD", "names": [ "1-[(1s,3ar,5r,5ar,7s,9as,11ar)-5,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone" ], "molecular_formula": "C24H38O3", "smiles": "CC(=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1[C@H](O)C3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0084233" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "CLWQVULZKKQARP-CSAJRJIWSA-N": { "inchikey": "CLWQVULZKKQARP-CSAJRJIWSA-N", "inchikey2D": "CLWQVULZKKQARP", "names": [ "(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl (2r)-2-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoate" ], "molecular_formula": "C36H56O7", "smiles": "C=C(CC[C@@H](C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0230250" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "DDHFHYJHYCAEKM-UHFFFAOYSA-N": { "inchikey": "DDHFHYJHYCAEKM-UHFFFAOYSA-N", "inchikey2D": "DDHFHYJHYCAEKM", "names": [ "3a,6,6,9a,11a-pentamethyl-1-{6-methyl-1-oxo-1-[(2,4,5-trihydroxyoxan-3-yl)oxy]hept-5-en-2-yl}-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl 1-methyl 3-hydroxy-3-methylpentanedioate" ], "molecular_formula": "C42H66O11", "smiles": "COC(=O)CC(C)(O)CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(CCC=C(C)C)C(=O)OC2C(O)OCC(O)C2O)C1(C)CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0211346" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "LRUBPHMPSUQKJO-KHAYOEAXSA-N": { "inchikey": "LRUBPHMPSUQKJO-KHAYOEAXSA-N", "inchikey2D": "LRUBPHMPSUQKJO", "names": [ "(2r)-2-[(1r,3s,3ar,5ar,7r,9as,11ar)-3-hydroxy-7-{[(3s)-3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl]oxy}-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid", "Forpinic acid B" ], "molecular_formula": "C38H60O8", "smiles": "C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@@](C)(O)CC(=O)OC)C(C)(C)[C@@H]1CC3)C(C)C", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { 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"molecular_formula": "C42H79NO9", "smiles": "CCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=C(C)CCCCCCCCC", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0032289" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "SMFKZHQECCGQOH-IRMJVDCHSA-N": { "inchikey": "SMFKZHQECCGQOH-IRMJVDCHSA-N", "inchikey2D": "SMFKZHQECCGQOH", "names": [ "(2r)-2-[(1r,3ar,5ar,7r,9as,11ar)-7-{[(3r)-3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl]oxy}-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid" ], "molecular_formula": "C37H58O7", "smiles": "COC(=O)C[C@@](C)(O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)C(=O)O)[C@@]1(C)CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0239478" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "LSGLUPXTGXDHCT-UHFFFAOYSA-N": { "inchikey": "LSGLUPXTGXDHCT-UHFFFAOYSA-N", "inchikey2D": "LSGLUPXTGXDHCT", "names": [ "7'-hydroxy-1',3,4,6',6',10',17',21'-octamethyl-14'-oxaspiro[oxolane-2,15'-pentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicosan]-2'(11')-en-5-one" ], "molecular_formula": "C31H48O4", "smiles": "CC1CC2(OC(=O)C(C)C2C)OC2CC3=C(CCC4C3(C)CCC(O)C4(C)C)C3(C)CCC1C23C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0072648" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "VATQJYHZJDBTRN-UHFFFAOYSA-N": { "inchikey": "VATQJYHZJDBTRN-UHFFFAOYSA-N", "inchikey2D": "VATQJYHZJDBTRN", "names": [ "6-{11-hydroxy-7-[(3-methoxy-3-oxopropanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C35H54O7", "smiles": "C=C(CCC(C)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CCC(OC(=O)CC(=O)OC)C(C)(C)C1CC3)C(C)C(=O)O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0030942" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "QBLJMSZQHKTGMS-UHFFFAOYSA-N": { "inchikey": "QBLJMSZQHKTGMS-UHFFFAOYSA-N", "inchikey2D": "QBLJMSZQHKTGMS", "names": [ "6-{7-[(3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-11-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C38H58O8", "smiles": "C=C(CCC(C)C1CCC2(C)C3=C(CC(=O)C12C)C1(C)CCC(OC(=O)CC(C)(O)CC(=O)OC)C(C)(C)C1CC3)C(C)C(=O)O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0000315" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "PSXJMKVNDMXDEM-NNNSZHMUSA-N": { "inchikey": "PSXJMKVNDMXDEM-NNNSZHMUSA-N", "inchikey2D": "PSXJMKVNDMXDEM", "names": [ "(1r,3ar,5ar,7r,9as,11ar)-1-[(2r)-1-[(2r)-3,4-dimethyl-5-oxo-2h-furan-2-yl]propan-2-yl]-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h-cyclopenta[a]phenanthren-7-yl 1-methyl (3s)-3-hydroxy-3-methylpentanedioate", "Palustrisolide G" ], "molecular_formula": "C38H54O8", "smiles": "COC(=O)C[C@](C)(O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)C[C@H]2OC(=O)C(C)=C2C)[C@@]1(C)C=C3", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0102675", "npaid": "NPA023724" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "NLXRBHRYKXMKNJ-UHFFFAOYSA-N": { "inchikey": "NLXRBHRYKXMKNJ-UHFFFAOYSA-N", "inchikey2D": "NLXRBHRYKXMKNJ", "names": [ "3,4,5-trihydroxyoxan-2-yl 2-[7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoate" ], "molecular_formula": "C37H58O8", "smiles": "CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(CCC=C(C)C)C(=O)OC2OCC(O)C(O)C2O)C1(C)CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0041421" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "JJYYLQGYXTZKMO-DZBUOOPSSA-N": { "inchikey": "JJYYLQGYXTZKMO-DZBUOOPSSA-N", "inchikey2D": "JJYYLQGYXTZKMO", "names": [ "(2s,6r)-6-[(1r,3as,5ar,7r,9as,11s,11ar)-11-hydroxy-7-{[(3r)-3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl]oxy}-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C38H60O8", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@](C)(O)CC(=O)OC)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O", "species": [ "[query-hint] Fomitopsis", "[query-hint] Piptoporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0136174" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "GREY:Piptoporus" ] }, "BUIKYFGHLFKLDB-UHFFFAOYSA-N": { "inchikey": "BUIKYFGHLFKLDB-UHFFFAOYSA-N", "inchikey2D": "BUIKYFGHLFKLDB", "names": [ "7-hydroxy-1-(1-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-2-one" ], "molecular_formula": "C30H46O3", "smiles": "CC(C)=CCCC(CO)C1C(=O)CC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0266334" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "SZJHDEBBAHZWAS-UHFFFAOYSA-N": { "inchikey": "SZJHDEBBAHZWAS-UHFFFAOYSA-N", "inchikey2D": "SZJHDEBBAHZWAS", "names": [ "3,4,5-trihydroxyoxan-2-yl 2-[7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-6-methylhept-4-enoate" ], "molecular_formula": "C37H58O9", "smiles": "CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(CC=CC(C)(C)O)C(=O)OC2OCC(O)C(O)C2O)C1(C)CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0113143" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "SMFKZHQECCGQOH-UHFFFAOYSA-N": { "inchikey": "SMFKZHQECCGQOH-UHFFFAOYSA-N", "inchikey2D": "SMFKZHQECCGQOH", "names": [ "2-{7-[(3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-enoic acid" ], "molecular_formula": "C37H58O7", "smiles": "COC(=O)CC(C)(O)CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(CCC=C(C)C)C(=O)O)C1(C)CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0026570" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "SZIOXIYBQOPKLK-UHFFFAOYSA-N": { "inchikey": "SZIOXIYBQOPKLK-UHFFFAOYSA-N", "inchikey2D": "SZIOXIYBQOPKLK", "names": [ "1-(1-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C30H48O2", "smiles": "CC(C)=CCCC(CO)C1CCC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C", "species": [ "[query-hint] Fomitopsis", "[query-hint] Ganoderma", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0037584" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "NPSZRCJAIWYJCC-AZKHBSDNSA-N": { "inchikey": "NPSZRCJAIWYJCC-AZKHBSDNSA-N", "inchikey2D": "NPSZRCJAIWYJCC", "names": [ "(2r)-2-[(1r,3ar,5s,5ar,9as,11ar)-5-hydroxy-3a,6,6,9a,11a-pentamethyl-2,7-dioxo-1h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid", "Formipinic acid F" ], "molecular_formula": "C30H42O5", "smiles": "CC(C)=CCC[C@@H](C(=O)O)[C@H]1C(=O)C[C@@]2(C)C3=C[C@H](O)[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0112157", "npaid": "NPA026308" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "DPGIZEKTZBZVBZ-UHFFFAOYSA-N": { "inchikey": "DPGIZEKTZBZVBZ-UHFFFAOYSA-N", "inchikey2D": "DPGIZEKTZBZVBZ", "names": [ "3,6-dihydroxy-2,5,5,8a-tetramethyl-octahydronaphthalene-1-carboxylic acid" ], "molecular_formula": "C15H26O4", "smiles": "CC1C(O)CC2C(C)(C)C(O)CCC2(C)C1C(=O)O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0038832" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "UVAVTWPZHQYWRG-GFTUBIQZSA-N": { "inchikey": "UVAVTWPZHQYWRG-GFTUBIQZSA-N", "inchikey2D": "UVAVTWPZHQYWRG", "names": [ "(1r,3ar,5ar,7r,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2r)-6-methyl-5-methylidene-1-oxo-1-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}heptan-2-yl]-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl 1-methyl (3s)-3-hydroxy-3-methylpentanedioate", "Forpinioside A" ], "molecular_formula": "C43H68O11", "smiles": "C=C(CC[C@@H](C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@@](C)(O)CC(=O)OC)C(C)(C)[C@@H]1CC3)C(C)C", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0036513", "npaid": "NPA026312" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "CGPXQZWXSOOFBC-UHFFFAOYSA-N": { "inchikey": "CGPXQZWXSOOFBC-UHFFFAOYSA-N", "inchikey2D": "CGPXQZWXSOOFBC", "names": [ "9a,11a-dimethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl octadeca-9,12-dienoate" ], "molecular_formula": "C46H76O2", "smiles": "C=C(CCC(C)C1CCC2C3=CCC4CC(OC(=O)CCCCCCCC=CCC=CCCCCC)CCC4(C)C3CCC21C)C(C)C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0257878" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "POUMRIGFOZCMNW-QGGAKJLRSA-N": { "inchikey": "POUMRIGFOZCMNW-QGGAKJLRSA-N", "inchikey2D": "POUMRIGFOZCMNW", "names": [ "(1r,3as,5ar,7r,9as,11s,11ar)-11-hydroxy-1-[(2r)-1-[(2s)-3-(hydroxymethyl)-4-methyl-5-oxo-2h-furan-2-yl]propan-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl 1-methyl (3s)-3-hydroxy-3-methylpentanedioate", "Palustrisolide C" ], "molecular_formula": "C38H58O9", "smiles": "COC(=O)C[C@](C)(O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)C[C@@H]2OC(=O)C(C)=C2CO)[C@@]1(C)[C@@H](O)C3", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0051657", "npaid": "NPA023719" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "HARWQRYVMOWQIV-UHFFFAOYSA-N": { "inchikey": "HARWQRYVMOWQIV-UHFFFAOYSA-N", "inchikey2D": "HARWQRYVMOWQIV", "names": [ "1-(1-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl acetate" ], "molecular_formula": "C32H52O3", "smiles": "CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(CO)CCC=C(C)C)C1(C)CC3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0121415" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "NBCPQLQTQKPUNE-OVLAPWHISA-N": { "inchikey": "NBCPQLQTQKPUNE-OVLAPWHISA-N", "inchikey2D": "NBCPQLQTQKPUNE", "names": [ "(3s)-5-{[(1r,3as,5r,5ar,7s,9as,11s,11ar)-1-[(2r)-1-[(2s)-3,4-dimethyl-5-oxo-2h-furan-2-yl]propan-2-yl]-5,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid", "Palustrisolide F" ], "molecular_formula": "C37H56O9", "smiles": "CC1=C(C)[C@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C[C@H](O)[C@]23C)[C@@]2(C)CC[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)C(C)(C)[C@@H]2[C@H](O)C4)OC1=O", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0227097", "npaid": "NPA023723" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "VVGQXMOSIRGYCB-UHFFFAOYSA-N": { "inchikey": "VVGQXMOSIRGYCB-UHFFFAOYSA-N", "inchikey2D": "VVGQXMOSIRGYCB", "names": [ "6-{7-[(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy]-5,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptanoic acid" ], "molecular_formula": "C37H58O9", "smiles": "C=C(CCC(C)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CCC(OC(=O)CC(C)(O)CC(=O)O)C(C)(C)C1C(O)C3)C(C)C(=O)O", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0047147" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "POUMRIGFOZCMNW-UHFFFAOYSA-N": { "inchikey": "POUMRIGFOZCMNW-UHFFFAOYSA-N", "inchikey2D": "POUMRIGFOZCMNW", "names": [ "11-hydroxy-1-{1-[3-(hydroxymethyl)-4-methyl-5-oxo-2h-furan-2-yl]propan-2-yl}-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl 1-methyl 3-hydroxy-3-methylpentanedioate" ], "molecular_formula": "C38H58O9", "smiles": "COC(=O)CC(C)(O)CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(C)CC2OC(=O)C(C)=C2CO)C1(C)C(O)C3", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0019449" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "TVQUBLZAXIBVSC-IJKMCWKBSA-N": { "inchikey": "TVQUBLZAXIBVSC-IJKMCWKBSA-N", "inchikey2D": "TVQUBLZAXIBVSC", "names": [ "(2s,3s,6r)-6-[(1r,3as,5ar,7r,9as,11r,11ar)-7-[(2-carboxyacetyl)oxy]-11-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dimethyl-4-oxoheptanoic acid", "Fomitopsin D" ], "molecular_formula": "C34H52O8", "smiles": "C[C@H](C(=O)O)[C@H](C)C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0254458", "npaid": "NPA024015" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "RHWDMEQRIQDNRW-FSKVBULCSA-N": { "inchikey": "RHWDMEQRIQDNRW-FSKVBULCSA-N", "inchikey2D": "RHWDMEQRIQDNRW", "names": [ "(2r)-2-[(1r,2r,3ar,5ar,7r,9as,11ar)-2-(acetyloxy)-7-{[(3s)-3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl]oxy}-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid", "Forpinic acid A" ], "molecular_formula": "C40H62O9", "smiles": "C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@@](C)(O)CC(=O)OC)C(C)(C)[C@@H]1CC3)C(C)C", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0256220", "npaid": "NPA026310" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "QDAFVTFMFWMYRP-UHFFFAOYSA-N": { "inchikey": "QDAFVTFMFWMYRP-UHFFFAOYSA-N", "inchikey2D": "QDAFVTFMFWMYRP", "names": [ "2-{2-hydroxy-7-[(3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C38H60O8", "smiles": "C=C(CCC(C(=O)O)C1C(O)CC2(C)C3=C(CCC12C)C1(C)CCC(OC(=O)CC(C)(O)CC(=O)OC)C(C)(C)C1CC3)C(C)C", "species": [ "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0109256" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis" ] }, "VCMYLLAGZPABJS-JNCQZVGLSA-N": { "inchikey": "VCMYLLAGZPABJS-JNCQZVGLSA-N", "inchikey2D": "VCMYLLAGZPABJS", "names": [ "(2s,6r)-6-[(1r,3as,5ar,7r,9as,11ar)-7-{[(3s)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy}-3a,6,6,9a,11a-pentamethyl-11-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid", "Fomitopsin I" ], "molecular_formula": "C37H56O8", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC(=O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@@](C)(O)CC(=O)O)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0082457", "npaid": "NPA026004" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "VCMYLLAGZPABJS-BDDWSFBUSA-N": { "inchikey": "VCMYLLAGZPABJS-BDDWSFBUSA-N", "inchikey2D": "VCMYLLAGZPABJS", "names": [ "(2s,6r)-6-[(1r,3as,5ar,7s,9as,11ar)-7-{[(3s)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy}-3a,6,6,9a,11a-pentamethyl-11-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid", "Fomitopsin J" ], "molecular_formula": "C37H56O8", "smiles": "C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC(=O)[C@]12C)[C@@]1(C)CC[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O", "species": [ "[npatlas-query] Fomitopsis", "[query-hint] Fomitopsis" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0134691", "npaid": "NPA026005" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Fomitopsis==Fomitopsis", "INCLUDE:Fomitopsis==Fomitopsis" ] }, "AHWOEMBXZXGDBQ-UHFFFAOYSA-N": { "inchikey": "AHWOEMBXZXGDBQ-UHFFFAOYSA-N", "inchikey2D": "AHWOEMBXZXGDBQ", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C28H44O", "smiles": "CC(C)C(C)C=CC(C)C1CCC2C3=CCC4CC(=O)CCC4(C)C3CCC21C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Phellinus", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0035667" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Phellinus==Phellinus", "INCLUDE:Polyporus==Polyporus" ] }, "PEGUBVVGNSOOBD-MMLHMXOOSA-N": { "inchikey": "PEGUBVVGNSOOBD-MMLHMXOOSA-N", "inchikey2D": "PEGUBVVGNSOOBD", "names": [ "(2r,5z)-6-[(1r,3r,3ar,5ar,9as,11r,11ar)-3,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O8", "smiles": "C/C(=C/C(=O)C[C@@H](C)C(=O)O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0195461" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DYPIHYCSZZORMA-SDCCCUSDSA-N": { "inchikey": "DYPIHYCSZZORMA-SDCCCUSDSA-N", "inchikey2D": "DYPIHYCSZZORMA", "names": [ "(6s)-6-hydroxy-6-[(1r,3r,5r,10s,14r,17r,18s)-17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H40O8", "smiles": "CC(CC(=O)C[C@](C)(O)C1=C[C@@H](O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0196829" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "LZUGLYPIDYYQJP-UHFFFAOYSA-N": { "inchikey": "LZUGLYPIDYYQJP-UHFFFAOYSA-N", "inchikey2D": "LZUGLYPIDYYQJP", "names": [ "6-hydroxy-2-methyl-4-oxo-6-{6,6,10,14,18-pentamethyl-7,13,17-trioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl}heptanoic acid" ], "molecular_formula": "C30H38O8", "smiles": "CC(CC(=O)CC(C)(O)C1=CC(=O)C2(C)C1(C)C(=O)C=C1C3(C)CCC(=O)C(C)(C)C3CC3OC132)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0060787" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "AHWOEMBXZXGDBQ-LLSCCSQYSA-N": { "inchikey": "AHWOEMBXZXGDBQ-LLSCCSQYSA-N", "inchikey2D": "AHWOEMBXZXGDBQ", "names": [ "(1r,3ar,5as,9as,9br,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C28H44O", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Phellinus", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0097167" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Phellinus==Phellinus", "INCLUDE:Polyporus==Polyporus" ] }, "KASALCUNLBTNAA-QXKPRLCWSA-N": { "inchikey": "KASALCUNLBTNAA-QXKPRLCWSA-N", "inchikey2D": "KASALCUNLBTNAA", "names": [ "(1r,3ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2r)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H48O4", "smiles": "C[C@H](CCC(O)C(C)(O)CO)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0083910" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "WXTMDXOMEHJXQO-UHFFFAOYSA-N": { "inchikey": "WXTMDXOMEHJXQO-UHFFFAOYSA-N", "inchikey2D": "WXTMDXOMEHJXQO", "names": [ "2,5-dihydroxybenzoic acid" ], "molecular_formula": "C7H6O4", "smiles": "O=C(O)c1cc(O)ccc1O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Polyporus", "[query-hint] Tremella" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0170793" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Polyporus==Polyporus", "INCLUDE:Tremella==Tremella" ] }, "NAETYGPWGSNZTO-HJVFTPNHSA-N": { "inchikey": "NAETYGPWGSNZTO-HJVFTPNHSA-N", "inchikey2D": "NAETYGPWGSNZTO", "names": [ "3a,6,6,9a,11a-pentamethyl-1-[(5r,6r)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione" ], "molecular_formula": "C30H48O5", "smiles": "CC(CC[C@@H](O)[C@](C)(O)CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0179937" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "AOXXVRDKZLRGTJ-CUJMEZSJSA-N": { "inchikey": "AOXXVRDKZLRGTJ-CUJMEZSJSA-N", "inchikey2D": "AOXXVRDKZLRGTJ", "names": [ "ganodermadiol" ], "molecular_formula": "C30H48O2", "smiles": "C/C(=C\\CC[C@@H](C)[C@@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0037184" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WQEPLUUGTLDZJY-UHFFFAOYSA-N": { "inchikey": "WQEPLUUGTLDZJY-UHFFFAOYSA-N", "inchikey2D": "WQEPLUUGTLDZJY", "names": [ "pentadecanoic acid" ], "molecular_formula": "C15H30O2", "smiles": "CCCCCCCCCCCCCCC(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0227120" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WTQONTJAKKYKBA-SIIIMULTSA-N": { "inchikey": "WTQONTJAKKYKBA-SIIIMULTSA-N", "inchikey2D": "WTQONTJAKKYKBA", "names": [ "(2r)-2-[(1r,3ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylheptane-1,5,6-triol" ], "molecular_formula": "C30H50O4", "smiles": "CC(C)(O)C(O)CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0072383" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "QZIICLRJPWBMPH-KXAGINKDSA-N": { "inchikey": "QZIICLRJPWBMPH-KXAGINKDSA-N", "inchikey2D": "QZIICLRJPWBMPH", "names": [ "(2s,6s)-6-[(1r,3r,5r,7s,10s,13s,14r,18r)-7,13-dihydroxy-6,6,10,14,18-pentamethyl-17-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O8", "smiles": "C[C@@H](CC(=O)C[C@](C)(O)C1=CC(=O)[C@]2(C)[C@]1(C)[C@@H](O)C=C1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0207165" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "RHNFCIPJKSUUES-SPFFTVLFSA-N": { "inchikey": "RHNFCIPJKSUUES-SPFFTVLFSA-N", "inchikey2D": "RHNFCIPJKSUUES", "names": [ "(2e,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enal" ], "molecular_formula": "C30H44O2", "smiles": "C/C(C=O)=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0203872" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RHNFCIPJKSUUES-UHFFFAOYSA-N": { "inchikey": "RHNFCIPJKSUUES-UHFFFAOYSA-N", "inchikey2D": "RHNFCIPJKSUUES", "names": [ "6-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enal" ], "molecular_formula": "C30H44O2", "smiles": "CC(C=O)=CCCC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0161071" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FGUBEKCWBCCEIB-IZFGZCAOSA-N": { "inchikey": "FGUBEKCWBCCEIB-IZFGZCAOSA-N", "inchikey2D": "FGUBEKCWBCCEIB", "names": [ "(5z)-6-[(1r,3r,5r,10s,14r,15r,17s,18s)-17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O7", "smiles": "C/C(=C/C(=O)CC(C)C(=O)O)[C@H]1C[C@H](O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0139981" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "AOXXVRDKZLRGTJ-AZIDVCJLSA-N": { "inchikey": "AOXXVRDKZLRGTJ-AZIDVCJLSA-N", "inchikey2D": "AOXXVRDKZLRGTJ", "names": [ "(1r,3ar,5ar,7s,9as,11ar)-1-[(2r,5e)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C30H48O2", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0185048" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QZZGJDVWLFXDLK-UHFFFAOYSA-N": { "inchikey": "QZZGJDVWLFXDLK-UHFFFAOYSA-N", "inchikey2D": "QZZGJDVWLFXDLK", "names": [ "lignoceric acid" ], "molecular_formula": "C24H48O2", "smiles": "CCCCCCCCCCCCCCCCCCCCCCCC(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0107726" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "TUNFSRHWOTWDNC-UHFFFAOYSA-N": { "inchikey": "TUNFSRHWOTWDNC-UHFFFAOYSA-N", "inchikey2D": "TUNFSRHWOTWDNC", "names": [ "Myristic acid", "myristic acid" ], "molecular_formula": "C14H28O2", "smiles": "CCCCCCCCCCCCCC(=O)O", "species": [ "Ganoderma lucidum", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "KNApSAcK", "LOTUS" ], "external_ids": { "lotus_id": "LTS0102566", "knapsack_cid": "C00001228" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VMEFPSOTFFVAQJ-UHFFFAOYSA-N": { "inchikey": "VMEFPSOTFFVAQJ-UHFFFAOYSA-N", "inchikey2D": "VMEFPSOTFFVAQJ", "names": [ "6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylheptane-1,2,3-triol" ], "molecular_formula": "C30H50O4", "smiles": "CC(CCC(O)C(C)(O)CO)C1CCC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0261352" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "OVUOUFPIPZJGME-UHFFFAOYSA-N": { "inchikey": "OVUOUFPIPZJGME-UHFFFAOYSA-N", "inchikey2D": "OVUOUFPIPZJGME", "names": [ "6-{3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H42O7", "smiles": "CC(=CC(=O)CC(C)C(=O)O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0272095" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "AHWOEMBXZXGDBQ-RHKUQNCCSA-N": { "inchikey": "AHWOEMBXZXGDBQ-RHKUQNCCSA-N", "inchikey2D": "AHWOEMBXZXGDBQ", "names": [ "(1r,3ar,5ar,9as,9br,11ar)-1-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C28H44O", "smiles": "CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0213232" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Phellinus==Phellinus" ] }, "QBAAQLPBKJNUHF-UHFFFAOYSA-N": { "inchikey": "QBAAQLPBKJNUHF-UHFFFAOYSA-N", "inchikey2D": "QBAAQLPBKJNUHF", "names": [ "6-{7,10-dihydroxy-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H46O5", "smiles": "CC(=CCCC(C)C1CCC2(C)C3=C(C(O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0220222" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "IFIKIFMCHAMBFO-UPFVWNNWSA-N": { "inchikey": "IFIKIFMCHAMBFO-UPFVWNNWSA-N", "inchikey2D": "IFIKIFMCHAMBFO", "names": [ "(5z)-2-methyl-4-oxo-6-[(1r,3r,5r,10s,14r,15r,18r)-6,6,10,14,18-pentamethyl-7,13,17-trioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl]hept-5-enoic acid" ], "molecular_formula": "C30H38O7", "smiles": "C/C(=C/C(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0179124" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "KSNKHYBQEAKBLD-UHFFFAOYSA-N": { "inchikey": "KSNKHYBQEAKBLD-UHFFFAOYSA-N", "inchikey2D": "KSNKHYBQEAKBLD", "names": [ "2-methyl-4-oxo-6-{6,6,10,14,18-pentamethyl-7,13,17-trioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}heptanoic acid" ], "molecular_formula": "C30H40O7", "smiles": "CC(CC(=O)CC(C)C1CC(=O)C2(C)C1(C)C(=O)C=C1C3(C)CCC(=O)C(C)(C)C3CC3OC132)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0051017" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "AOXXVRDKZLRGTJ-UHFFFAOYSA-N": { "inchikey": "AOXXVRDKZLRGTJ-UHFFFAOYSA-N", "inchikey2D": "AOXXVRDKZLRGTJ", "names": [ "1-(7-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C30H48O2", "smiles": "CC(=CCCC(C)C1CCC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0247910" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NAETYGPWGSNZTO-UHFFFAOYSA-N": { "inchikey": "NAETYGPWGSNZTO-UHFFFAOYSA-N", "inchikey2D": "NAETYGPWGSNZTO", "names": [ "3a,6,6,9a,11a-pentamethyl-1-(5,6,7-trihydroxy-6-methylheptan-2-yl)-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione" ], "molecular_formula": "C30H48O5", "smiles": "CC(CCC(O)C(C)(O)CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0005679" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "VMEFPSOTFFVAQJ-BYHWXZIPSA-N": { "inchikey": "VMEFPSOTFFVAQJ-BYHWXZIPSA-N", "inchikey2D": "VMEFPSOTFFVAQJ", "names": [ "(2r,3r,6r)-6-[(1s,3as,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylheptane-1,2,3-triol" ], "molecular_formula": "C30H50O4", "smiles": "C[C@H](CC[C@@H](O)[C@](C)(O)CO)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0004142" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "QZIICLRJPWBMPH-PQXQDPBVSA-N": { "inchikey": "QZIICLRJPWBMPH-PQXQDPBVSA-N", "inchikey2D": "QZIICLRJPWBMPH", "names": [ "(6s)-6-[(1r,3r,5r,7s,10s,13s,14r,18r)-7,13-dihydroxy-6,6,10,14,18-pentamethyl-17-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O8", "smiles": "CC(CC(=O)C[C@](C)(O)C1=CC(=O)[C@]2(C)[C@]1(C)[C@@H](O)C=C1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0234807" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "QZIICLRJPWBMPH-UHFFFAOYSA-N": { "inchikey": "QZIICLRJPWBMPH-UHFFFAOYSA-N", "inchikey2D": "QZIICLRJPWBMPH", "names": [ "6-{7,13-dihydroxy-6,6,10,14,18-pentamethyl-17-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl}-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O8", "smiles": "CC(CC(=O)CC(C)(O)C1=CC(=O)C2(C)C1(C)C(O)C=C1C3(C)CCC(O)C(C)(C)C3CC3OC132)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0043894" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "YXOLAZRVSSWPPT-UHFFFAOYSA-N": { "inchikey": "YXOLAZRVSSWPPT-UHFFFAOYSA-N", "inchikey2D": "YXOLAZRVSSWPPT", "names": [ "bois d,arc" ], "molecular_formula": "C15H10O7", "smiles": "O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0113386" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HHCQRNABFNZPFW-RRQOCDKYSA-N": { "inchikey": "HHCQRNABFNZPFW-RRQOCDKYSA-N", "inchikey2D": "HHCQRNABFNZPFW", "names": [ "(2s,6s)-6-[(1s,3ar,4s,5ar,7s,9as,11s,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O9", "smiles": "C[C@@H](CC(=O)C[C@](C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0107650" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BLTRPNNWBNKAEH-LCWRUPSGSA-N": { "inchikey": "BLTRPNNWBNKAEH-LCWRUPSGSA-N", "inchikey2D": "BLTRPNNWBNKAEH", "names": [ "(3s,6r)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylheptane-2,3-diol" ], "molecular_formula": "C30H50O3", "smiles": "C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0080978" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AAJIHHYEPHRIET-XEFAKFPISA-N": { "inchikey": "AAJIHHYEPHRIET-XEFAKFPISA-N", "inchikey2D": "AAJIHHYEPHRIET", "names": [ "(1r,3ar,5ar,9as,11ar)-1-[(2r,5s)-5,6-dihydroxy-6-methylheptan-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H48O3", "smiles": "C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0102811" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DQJCDTNMLBYVAY-FEWQIWPRSA-N": { "inchikey": "DQJCDTNMLBYVAY-FEWQIWPRSA-N", "inchikey2D": "DQJCDTNMLBYVAY", "names": [ "(2r)-2-{[(2s)-6-amino-2-{[(4r)-4-{[(2s)-2-[(2-{[(2r,3s,4r,5r)-3-{[(2s,3r,4r,5s,6r)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-5-(ethylamino)-6-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy}-1-hydroxypropylidene)amino]-1-hydroxypropylidene]amino}-1-hydroxy-4-(c-hydroxycarbonimidoyl)butylidene]amino}-1-hydroxyhexylidene]amino}propanoic acid" ], "molecular_formula": "C36H64N8O17", "smiles": "CCN[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1OC(C)C(O)=N[C@@H](C)C(O)=N[C@H](CCC(O)=N[C@@H](CCCCN)C(O)=N[C@H](C)C(=O)O)C(=N)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0187086" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GRUFNTJZOWNVLV-BGXTZWQBSA-N": { "inchikey": "GRUFNTJZOWNVLV-BGXTZWQBSA-N", "inchikey2D": "GRUFNTJZOWNVLV", "names": [ "(2e,6r)-6-[(3ar,4s,7s)-4,7-dihydroxy-3a,6,6,9a,11,11a-hexamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C31H46O6", "smiles": "C/C(=C\\CC[C@@H](C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C(C)C12C)C1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0201444" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YXENPUXPUOBZON-UHFFFAOYSA-N": { "inchikey": "YXENPUXPUOBZON-UHFFFAOYSA-N", "inchikey2D": "YXENPUXPUOBZON", "names": [ "8-methylnon-6-enimidic acid" ], "molecular_formula": "C10H19NO", "smiles": "CC(C)C=CCCCCC(=N)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0275516" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LVBXEMGDVWVTGY-UHFFFAOYSA-N": { "inchikey": "LVBXEMGDVWVTGY-UHFFFAOYSA-N", "inchikey2D": "LVBXEMGDVWVTGY", "names": [ "2-octenal" ], "molecular_formula": "C8H14O", "smiles": "CCCCCC=CC=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0165517" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LIJZGBVDQCTWLG-KJICSUBBSA-N": { "inchikey": "LIJZGBVDQCTWLG-KJICSUBBSA-N", "inchikey2D": "LIJZGBVDQCTWLG", "names": [ "2-[(4r)-4-[(1r,3ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentylidene]propane-1,3-diol" ], "molecular_formula": "C30H48O3", "smiles": "C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0152157" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QWFPQDGDUOGOJF-PNDDFUIZSA-N": { "inchikey": "QWFPQDGDUOGOJF-PNDDFUIZSA-N", "inchikey2D": "QWFPQDGDUOGOJF", "names": [ "(1s,3ar,9as,11ar)-1-[(2r,5e)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H46O2", "smiles": "C/C(=C\\CC[C@@H](C)[C@@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0253578" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LHWMZHJFDMVPPP-ZPTOFWMHSA-N": { "inchikey": "LHWMZHJFDMVPPP-ZPTOFWMHSA-N", "inchikey2D": "LHWMZHJFDMVPPP", "names": [ "methyl (5z)-6-[(1s,9as,11ar)-3,7-dihydroxy-1,3a,6,6,9a,11a-hexamethyl-4,10-dioxo-2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoate" ], "molecular_formula": "C32H46O7", "smiles": "COC(=O)C(C)CC(=O)/C=C(/C)[C@]1(C)CC(O)C2(C)C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0157390" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YIWUKEYIRIRTPP-UHFFFAOYSA-N": { "inchikey": "YIWUKEYIRIRTPP-UHFFFAOYSA-N", "inchikey2D": "YIWUKEYIRIRTPP", "names": [ "2-ethylhexanol" ], "molecular_formula": "C8H18O", "smiles": "CCCCC(CC)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0180984" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MIWGXXQCEDNROQ-VTLVPPOBSA-N": { "inchikey": "MIWGXXQCEDNROQ-VTLVPPOBSA-N", "inchikey2D": "MIWGXXQCEDNROQ", "names": [ "(2e,6r)-6-[(3ar,4s,7s)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O7", "smiles": "C/C(=C\\C(O)C[C@@H](C)C1CC(=O)[C@@]2(C)C3=C(C(=O)CC12C)C1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0183636" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JTBDTJVGIGEPFI-ANLYHKFNSA-N": { "inchikey": "JTBDTJVGIGEPFI-ANLYHKFNSA-N", "inchikey2D": "JTBDTJVGIGEPFI", "names": [ "(2e,6r)-6-[(3s,3ar,4s)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O7", "smiles": "C/C(=C\\C(O)C[C@@H](C)C1C[C@H](O)[C@@]2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0265961" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FEPBITJSIHRMRT-UHFFFAOYSA-N": { "inchikey": "FEPBITJSIHRMRT-UHFFFAOYSA-N", "inchikey2D": "FEPBITJSIHRMRT", "names": [ "phenolsulfonic acid" ], "molecular_formula": "C6H6O4S", "smiles": "O=S(=O)(O)c1ccc(O)cc1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0211421" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YOUGRGFIHBUKRS-UHFFFAOYSA-N": { "inchikey": "YOUGRGFIHBUKRS-UHFFFAOYSA-N", "inchikey2D": "YOUGRGFIHBUKRS", "names": [ "benzyltrimethylazanium" ], "molecular_formula": "[C10H16N]+", "smiles": "C[N+](C)(C)Cc1ccccc1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0271527" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YPYHGMCHNBTMDB-ZQIPJMOVSA-N": { "inchikey": "YPYHGMCHNBTMDB-ZQIPJMOVSA-N", "inchikey2D": "YPYHGMCHNBTMDB", "names": [ "6-[(1r,3s,3ar,5ar,7s,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H46O6", "smiles": "CC(CC(=O)CC(C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0224448" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LZFQRXBEWMGXCV-UHFFFAOYSA-N": { "inchikey": "LZFQRXBEWMGXCV-UHFFFAOYSA-N", "inchikey2D": "LZFQRXBEWMGXCV", "names": [ "1-{5-methyl-2-[(trimethylsilyl)oxy]phenyl}ethanone" ], "molecular_formula": "C12H18O2Si", "smiles": "CC(=O)c1cc(C)ccc1O[Si](C)(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0220298" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YGHRJJRRZDOVPD-UHFFFAOYSA-N": { "inchikey": "YGHRJJRRZDOVPD-UHFFFAOYSA-N", "inchikey2D": "YGHRJJRRZDOVPD", "names": [ "isovaleraldehyde" ], "molecular_formula": "C5H10O", "smiles": "CC(C)CC=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0227741" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RQIBZQHGLWMLEC-UHFFFAOYSA-N": { "inchikey": "RQIBZQHGLWMLEC-UHFFFAOYSA-N", "inchikey2D": "RQIBZQHGLWMLEC", "names": [ "2-methyl-4-oxo-6-{3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-dodecahydrocyclopenta[a]phenanthren-1-yl}heptanoic acid" ], "molecular_formula": "C30H48O7", "smiles": "CC(CC(=O)CC(C)C1CC(O)C2(C)C3C(O)CC4C(C)(C)C(O)CCC4(C)C3C(=O)CC12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0252185" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MSUOLNSQHLHDAS-UHFFFAOYSA-N": { "inchikey": "MSUOLNSQHLHDAS-UHFFFAOYSA-N", "inchikey2D": "MSUOLNSQHLHDAS", "names": [ "cerebronic acid" ], "molecular_formula": "C24H48O3", "smiles": "CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0247191" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FYGDTMLNYKFZSV-UHFFFAOYSA-N": { "inchikey": "FYGDTMLNYKFZSV-UHFFFAOYSA-N", "inchikey2D": "FYGDTMLNYKFZSV", "names": [ "amylose" ], "molecular_formula": "C18H32O16", "smiles": "OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Lentinula", "[query-hint] Wolfiporia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0110579" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Lentinula==Lentinula", "INCLUDE:Wolfiporia==Wolfiporia" ] }, "KWWNVEIEHRUKAV-PQWKYGPVSA-N": { "inchikey": "KWWNVEIEHRUKAV-PQWKYGPVSA-N", "inchikey2D": "KWWNVEIEHRUKAV", "names": [ "(1s,2r,4as,6as,6br,8ar,9r,10s,12ar,12br,14bs)-10-hydroxy-1,2,6a,6b,9,12a-hexamethyl-9-[(sulfooxy)methyl]-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1h-picene-4a-carboxylic acid" ], "molecular_formula": "C30H48O7S", "smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(COS(=O)(=O)O)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0065503" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GWCYTRLXOGOLBZ-ZRQBFOEYSA-N": { "inchikey": "GWCYTRLXOGOLBZ-ZRQBFOEYSA-N", "inchikey2D": "GWCYTRLXOGOLBZ", "names": [ "methyl (4r)-4-[(1r,3ar,7s,9as,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C30H42O8", "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C(OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0056646" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HGBOYTHUEUWSSQ-UHFFFAOYSA-N": { "inchikey": "HGBOYTHUEUWSSQ-UHFFFAOYSA-N", "inchikey2D": "HGBOYTHUEUWSSQ", "names": [ "pentanal" ], "molecular_formula": "C5H10O", "smiles": "CCCCC=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0234306" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XRXBNTYHQXKSAO-WRRQQOFWSA-N": { "inchikey": "XRXBNTYHQXKSAO-WRRQQOFWSA-N", "inchikey2D": "XRXBNTYHQXKSAO", "names": [ "(2r,6r)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O6", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0047895" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KHMZFMPQPFGSOS-ANVHKVLTSA-N": { "inchikey": "KHMZFMPQPFGSOS-ANVHKVLTSA-N", "inchikey2D": "KHMZFMPQPFGSOS", "names": [ "(4s)-4-[(1s,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxypentanoic acid" ], "molecular_formula": "C27H40O7", "smiles": "CC1(C)[C@@H](O)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)C(=O)C[C@H]([C@@](C)(O)CCC(=O)O)[C@@]1(C)CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0083018" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "NJZMSAAKSXZIEC-UHFFFAOYSA-N": { "inchikey": "NJZMSAAKSXZIEC-UHFFFAOYSA-N", "inchikey2D": "NJZMSAAKSXZIEC", "names": [ "6-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O6", "smiles": "CC(=CCCC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0078300" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "LPZURWPKEZGETF-UHFFFAOYSA-N": { "inchikey": "LPZURWPKEZGETF-UHFFFAOYSA-N", "inchikey2D": "LPZURWPKEZGETF", "names": [ "3,6,14-trihydroxy-12-oxatetracyclo[8.3.3.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-8,11-dione" ], "molecular_formula": "C15H14O6", "smiles": "O=C1CC23CCC(O)C2(COC3=O)c2c(O)ccc(O)c21", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0057013" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ASUPBUQSWCPYPH-UHFFFAOYSA-N": { "inchikey": "ASUPBUQSWCPYPH-UHFFFAOYSA-N", "inchikey2D": "ASUPBUQSWCPYPH", "names": [ "3-[5,10,14-trimethyl-6-(2-methyloxiran-2-yl)-2,3,8-trioxo-14-(3-oxopentyl)-15-oxatetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadec-4(9)-en-5-yl]propanoic acid" ], "molecular_formula": "C29H38O8", "smiles": "CCC(=O)CCC1(C)OCC23C(=O)C(=O)C4=C(C(=O)CC(C5(C)CO5)C4(C)CCC(=O)O)C2(C)CCC13", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0061122" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "POMQYGOTGJUISL-UHFFFAOYSA-N": { "inchikey": "POMQYGOTGJUISL-UHFFFAOYSA-N", "inchikey2D": "POMQYGOTGJUISL", "names": [ "11-(5,6-dimethylhept-3-en-2-yl)-6,10-dimethyl-17,18-dioxapentacyclo[14.2.1.0¹,⁶.0⁷,¹⁵.0¹⁰,¹⁴]nonadecan-3-ol" ], "molecular_formula": "C28H46O3", "smiles": "CC(C)C(C)C=CC(C)C1CCC2C3C4CC5(CC(O)CCC5(C)C3CCC12C)OO4", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0113039" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NNMYUEIQQGJWFO-GPHFOOKYSA-N": { "inchikey": "NNMYUEIQQGJWFO-GPHFOOKYSA-N", "inchikey2D": "NNMYUEIQQGJWFO", "names": [ "(2z,5e,9z)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoic acid", "Ganotheaecolumol I" ], "molecular_formula": "C21H26O6", "smiles": "C/C(=C/CC/C(C)=C/CC/C(=C/C(=O)c1cc(O)ccc1O)C(=O)O)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0081150", "npaid": "NPA022978" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "LZUGLYPIDYYQJP-YUVIQOKKSA-N": { "inchikey": "LZUGLYPIDYYQJP-YUVIQOKKSA-N", "inchikey2D": "LZUGLYPIDYYQJP", "names": [ "6-hydroxy-2-methyl-4-oxo-6-[(1r,3r,5r,10s,14r,18r)-6,6,10,14,18-pentamethyl-7,13,17-trioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]heptanoic acid", "Applanoxidic acid B" ], "molecular_formula": "C30H38O8", "smiles": "CC(CC(=O)CC(C)(O)C1=CC(=O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0219453", "npaid": "NPA013966" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "OQZUHLHZZSDZKQ-KHOBFWCSSA-N": { "inchikey": "OQZUHLHZZSDZKQ-KHOBFWCSSA-N", "inchikey2D": "OQZUHLHZZSDZKQ", "names": [ "(±)-ganotheaecolumol C", "2,5-dihydroxy-2-[(4e,8e)-10-hydroxy-5,9-dimethyldeca-4,8-dien-1-yl]-1-benzofuran-3-one" ], "molecular_formula": "C20H26O5", "smiles": "C/C(=C\\CC/C(C)=C/CCCC1(O)Oc2ccc(O)cc2C1=O)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0126051", "npaid": "NPA022983" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "DCXSLOVKLLXMQB-KZSFNMNISA-N": { "inchikey": "DCXSLOVKLLXMQB-KZSFNMNISA-N", "inchikey2D": "DCXSLOVKLLXMQB", "names": [ "3-[(1s,5s,6s,8s,10r,13s,14s)-8-(acetyloxy)-5,10,14-trimethyl-3-oxo-14-(3-oxopentyl)-6-(prop-1-en-2-yl)-15-oxatetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadec-4(9)-en-5-yl]propanoic acid", "Ganoboninone F" ], "molecular_formula": "C31H44O7", "smiles": "C=C(C)[C@@H]1C[C@H](OC(C)=O)C2=C(C(=O)C[C@]34CO[C@@](C)(CCC(=O)CC)[C@H]3CC[C@@]24C)[C@@]1(C)CCC(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0131667", "npaid": "NPA018364" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "LIXJQWXQCCCUFA-GGTIBQPSSA-N": { "inchikey": "LIXJQWXQCCCUFA-GGTIBQPSSA-N", "inchikey2D": "LIXJQWXQCCCUFA", "names": [ "ethyl (5e)-6-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoate", "ethyl ganoderenate D" ], "molecular_formula": "C32H44O7", "smiles": "CCOC(=O)C(C)CC(=O)/C=C(\\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0213915", "npaid": "NPA019292" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "KASALCUNLBTNAA-LIPCCPSCSA-N": { "inchikey": "KASALCUNLBTNAA-LIPCCPSCSA-N", "inchikey2D": "KASALCUNLBTNAA", "names": [ "ganodermanontriol" ], "molecular_formula": "C30H48O4", "smiles": "C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0078879" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "DYPIHYCSZZORMA-VBVPWVAJSA-N": { "inchikey": "DYPIHYCSZZORMA-VBVPWVAJSA-N", "inchikey2D": "DYPIHYCSZZORMA", "names": [ "(2r,6s)-6-hydroxy-6-[(1r,3r,5s,10s,14r,17r,18s)-17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H40O8", "smiles": "C[C@H](CC(=O)C[C@](C)(O)C1=C[C@@H](O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CCC(=O)C(C)(C)[C@H]3C[C@H]3O[C@@]132)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0075249" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "YTVGSCZIHGRVAV-JNNIMRBHSA-N": { "inchikey": "YTVGSCZIHGRVAV-JNNIMRBHSA-N", "inchikey2D": "YTVGSCZIHGRVAV", "names": [ "6-[(3ar,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O7", "smiles": "CC(CC(=O)CC(C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0075063" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MWMPEAHGUXCSMY-UHFFFAOYSA-N": { "inchikey": "MWMPEAHGUXCSMY-UHFFFAOYSA-N", "inchikey2D": "MWMPEAHGUXCSMY", "names": [ "pentacosanoic acid" ], "molecular_formula": "C25H50O2", "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0070014" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "PZBNMAFUFCEVHI-UHFFFAOYSA-N": { "inchikey": "PZBNMAFUFCEVHI-UHFFFAOYSA-N", "inchikey2D": "PZBNMAFUFCEVHI", "names": [ "5-(5,6-dimethylhept-3-en-2-yl)-14,17-dihydroxy-6,9-dimethyltetracyclo[7.7.1.0²,⁶.0¹³,¹⁷]heptadeca-1(16),11,13-trien-15-one" ], "molecular_formula": "C28H40O3", "smiles": "CC(C)C(C)C=CC(C)C1CCC2C3=CC(=O)C(O)=C4C=CCC(C)(CCC21C)C34O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0071342" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "LKOVPWSSZFDYPG-WUKNDPDISA-N": { "inchikey": "LKOVPWSSZFDYPG-WUKNDPDISA-N", "inchikey2D": "LKOVPWSSZFDYPG", "names": [ "trans-2-octadecenoic acid" ], "molecular_formula": "C18H34O2", "smiles": "CCCCCCCCCCCCCCC/C=C/C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0082014" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "LIXJQWXQCCCUFA-UHFFFAOYSA-N": { "inchikey": "LIXJQWXQCCCUFA-UHFFFAOYSA-N", "inchikey2D": "LIXJQWXQCCCUFA", "names": [ "ethyl 6-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoate" ], "molecular_formula": "C32H44O7", "smiles": "CCOC(=O)C(C)CC(=O)C=C(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0122230" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "KASALCUNLBTNAA-ATBRMMACSA-N": { "inchikey": "KASALCUNLBTNAA-ATBRMMACSA-N", "inchikey2D": "KASALCUNLBTNAA", "names": [ "(3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(6r)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H48O4", "smiles": "CC(CCC(O)[C@](C)(O)CO)C1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0071188" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "LWPLEHFGBRFRKI-UHFFFAOYSA-N": { "inchikey": "LWPLEHFGBRFRKI-UHFFFAOYSA-N", "inchikey2D": "LWPLEHFGBRFRKI", "names": [ "6-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O7", "smiles": "CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0070727" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "AZPOACUDFJKUHJ-GPEQXWBKSA-N": { "inchikey": "AZPOACUDFJKUHJ-GPEQXWBKSA-N", "inchikey2D": "AZPOACUDFJKUHJ", "names": [ "Lucidadiol", "lucidadiol" ], "molecular_formula": "C30H48O3", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0210987", "npaid": "NPA012950" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CUFBLDXHAWKOJF-UHFFFAOYSA-N": { "inchikey": "CUFBLDXHAWKOJF-UHFFFAOYSA-N", "inchikey2D": "CUFBLDXHAWKOJF", "names": [ "methyl 3-hydroxy-2-methyl-4-oxo-6-{3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}heptanoate" ], "molecular_formula": "C31H48O8", "smiles": "COC(=O)C(C)C(O)C(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0228142" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "DQHIGCCLMVVSPZ-RPOLMSGVSA-N": { "inchikey": "DQHIGCCLMVVSPZ-RPOLMSGVSA-N", "inchikey2D": "DQHIGCCLMVVSPZ", "names": [ "(-)-ganotheaecolumol G", "(2e,6e)-9-[(5s)-5-(2,5-dihydroxyphenyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnona-2,6-dienoic acid" ], "molecular_formula": "C22H26O7", "smiles": "CO[C@@]1(c2cc(O)ccc2O)C=C(CC/C=C(\\C)CC/C=C(\\C)C(=O)O)C(=O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0069700", "npaid": "NPA022975" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "SZCAPUAJXOKPIR-UHFFFAOYSA-N": { "inchikey": "SZCAPUAJXOKPIR-UHFFFAOYSA-N", "inchikey2D": "SZCAPUAJXOKPIR", "names": [ "3-hydroxy-1-[7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H46O4", "smiles": "CC(CCC=C(CO)CO)C1CC(O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0073656" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "RHYMEQIZAITVCZ-JTJVRMFXSA-N": { "inchikey": "RHYMEQIZAITVCZ-JTJVRMFXSA-N", "inchikey2D": "RHYMEQIZAITVCZ", "names": [ "Ganoboninone B", "methyl 3-[(1r,5s,6r,10s,13s,14s)-5,10,14-trimethyl-6-[(2s)-2-methyloxiran-2-yl]-2,3,8-trioxo-14-(3-oxopentyl)-15-oxatetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadec-4(9)-en-5-yl]propanoate" ], "molecular_formula": "C30H40O8", "smiles": "CCC(=O)CC[C@]1(C)OC[C@]23C(=O)C(=O)C4=C(C(=O)C[C@@H]([C@@]5(C)CO5)[C@]4(C)CCC(=O)OC)[C@]2(C)CC[C@H]13", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0086869", "npaid": "NPA016298" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "LIJZGBVDQCTWLG-UHFFFAOYSA-N": { "inchikey": "LIJZGBVDQCTWLG-UHFFFAOYSA-N", "inchikey2D": "LIJZGBVDQCTWLG", "names": [ "2-(4-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentylidene)propane-1,3-diol" ], "molecular_formula": "C30H48O3", "smiles": "CC(CCC=C(CO)CO)C1CCC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0000252" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "PEGUBVVGNSOOBD-UHFFFAOYSA-N": { "inchikey": "PEGUBVVGNSOOBD-UHFFFAOYSA-N", "inchikey2D": "PEGUBVVGNSOOBD", "names": [ "6-{3,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O8", "smiles": "CC(=CC(=O)CC(C)C(=O)O)C1CC(O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0088983" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "JVGJXXNUVVQEIG-MWNPDYKXSA-N": { "inchikey": "JVGJXXNUVVQEIG-MWNPDYKXSA-N", "inchikey2D": "JVGJXXNUVVQEIG", "names": [ "(1r,3ar,5as,9as,11ar)-1-[(2r)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H46O3", "smiles": "C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0095866" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "OHYSEUXBUNIBRZ-UHFFFAOYSA-N": { "inchikey": "OHYSEUXBUNIBRZ-UHFFFAOYSA-N", "inchikey2D": "OHYSEUXBUNIBRZ", "names": [ "3-[5,10,14-trimethyl-6-(2-methyloxiran-2-yl)-3,8-dioxo-14-(3-oxopentyl)-15-oxatetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadec-4(9)-en-5-yl]propanoic acid" ], "molecular_formula": "C29H40O7", "smiles": "CCC(=O)CCC1(C)OCC23CC(=O)C4=C(C(=O)CC(C5(C)CO5)C4(C)CCC(=O)O)C2(C)CCC13", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0020522" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "UGDGYPOUVWCWQF-KRWDZBQOSA-N": { "inchikey": "UGDGYPOUVWCWQF-KRWDZBQOSA-N", "inchikey2D": "UGDGYPOUVWCWQF", "names": [ "Ganotheaecoloid N", "methyl (1r)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3-(hydroxymethyl)cyclohex-2-ene-1-carboxylate" ], "molecular_formula": "C17H20O6", "smiles": "COC(=O)[C@]1(CC(=O)c2cc(O)ccc2O)C=C(CO)CCC1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0018981", "npaid": "NPA028095" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "BLYISEBTSCBMSM-UHFFFAOYSA-N": { "inchikey": "BLYISEBTSCBMSM-UHFFFAOYSA-N", "inchikey2D": "BLYISEBTSCBMSM", "names": [ "methyl 4-[4,7-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C28H42O7", "smiles": "COC(=O)CCC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0206462" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "OQZUHLHZZSDZKQ-UHFFFAOYSA-N": { "inchikey": "OQZUHLHZZSDZKQ-UHFFFAOYSA-N", "inchikey2D": "OQZUHLHZZSDZKQ", "names": [ "2,5-dihydroxy-2-(10-hydroxy-5,9-dimethyldeca-4,8-dien-1-yl)-1-benzofuran-3-one" ], "molecular_formula": "C20H26O5", "smiles": "CC(=CCCC(C)=CCCCC1(O)Oc2ccc(O)cc2C1=O)CO", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0200977" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "CEINAMXDMPYDMG-UHFFFAOYSA-N": { "inchikey": "CEINAMXDMPYDMG-UHFFFAOYSA-N", "inchikey2D": "CEINAMXDMPYDMG", "names": [ "5-(2,5-dihydroxyphenyl)-3-(4,8-dimethyl-7-oxonon-3-en-1-yl)-5h-furan-2-one" ], "molecular_formula": "C21H26O5", "smiles": "CC(=CCCC1=CC(c2cc(O)ccc2O)OC1=O)CCC(=O)C(C)C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0105090" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "VLXRBLIWOFMVDW-YQERWRMHSA-N": { "inchikey": "VLXRBLIWOFMVDW-YQERWRMHSA-N", "inchikey2D": "VLXRBLIWOFMVDW", "names": [ "(-)-ganotheaecolumol A", "(2r)-6-hydroxy-2-[(3e,7e)-9-hydroxy-4,8-dimethylnona-3,7-dien-1-yl]-4-oxo-3h-1-benzopyran-2-carboxylic acid" ], "molecular_formula": "C21H26O6", "smiles": "C/C(=C\\CC/C(C)=C/CC[C@]1(C(=O)O)CC(=O)c2cc(O)ccc2O1)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0115308", "npaid": "NPA022980" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "CPNZZPJVTYYGTI-OELKAKTESA-N": { "inchikey": "CPNZZPJVTYYGTI-OELKAKTESA-N", "inchikey2D": "CPNZZPJVTYYGTI", "names": [ "(1s,2s,3r)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-hydroxy-3-(hydroxymethyl)cyclohexane-1-carboxylic acid", "Ganotheaecoloid M" ], "molecular_formula": "C16H20O7", "smiles": "O=C(C[C@@]1(C(=O)O)CCC[C@H](CO)[C@@H]1O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0109162", "npaid": "NPA028093" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "LTJSBYAKDOGXLX-UHFFFAOYSA-N": { "inchikey": "LTJSBYAKDOGXLX-UHFFFAOYSA-N", "inchikey2D": "LTJSBYAKDOGXLX", "names": [ "4-[11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C29H38O8", "smiles": "CC(=O)OC1C(=O)C2=C(C(=O)CC3C(C)(C)C(=O)CCC23C)C2(C)C(=O)CC(C(C)CCC(=O)O)C12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0171030" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "LVGXQNCCBAHXHL-UHFFFAOYSA-N": { "inchikey": "LVGXQNCCBAHXHL-UHFFFAOYSA-N", "inchikey2D": "LVGXQNCCBAHXHL", "names": [ "3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-[7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoate" ], "molecular_formula": "C38H60O9", "smiles": "CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(CCC=C(C)C)C(=O)OC2OC(CO)C(O)C(O)C2O)C1(C)CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0199432" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AZPOACUDFJKUHJ-UHFFFAOYSA-N": { "inchikey": "AZPOACUDFJKUHJ-UHFFFAOYSA-N", "inchikey2D": "AZPOACUDFJKUHJ", "names": [ "7-hydroxy-1-(7-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one" ], "molecular_formula": "C30H48O3", "smiles": "CC(=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0163425" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZDSCEDBLFYKSDB-JXYXQROOSA-N": { "inchikey": "ZDSCEDBLFYKSDB-JXYXQROOSA-N", "inchikey2D": "ZDSCEDBLFYKSDB", "names": [ "Ganoboninketal C", "methyl 3-[(1s,1's,2r,4s,4'r,5's,6's,8's,9's,10'r)-8'-(acetyloxy)-4-ethyl-1,5',10'-trimethyl-3'-oxo-6'-(prop-1-en-2-yl)-3,7,15'-trioxaspiro[bicyclo[2.2.1]heptane-2,13'-tetracyclo[7.4.2.0¹,¹⁰.0⁴,⁹]pentadecan]-5'-yl]propanoate" ], "molecular_formula": "C32H46O8", "smiles": "C=C(C)[C@@H]1C[C@H](OC(C)=O)[C@]23OC[C@]4(CC(=O)[C@@H]2[C@@]1(C)CCC(=O)OC)[C@@]3(C)CC[C@@]41O[C@@]2(CC)CC[C@]1(C)O2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0120106", "npaid": "NPA001156" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "XXHBQOHASACCAP-QNYQZGHFSA-N": { "inchikey": "XXHBQOHASACCAP-QNYQZGHFSA-N", "inchikey2D": "XXHBQOHASACCAP", "names": [ "6-[(1s,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O8", "smiles": "CC(CC(=O)CC(C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0199568" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "JGWQYLZHPPFHEH-XNTDXEJSSA-N": { "inchikey": "JGWQYLZHPPFHEH-XNTDXEJSSA-N", "inchikey2D": "JGWQYLZHPPFHEH", "names": [ "(5e)-6-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O7", "smiles": "C/C(=C\\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0202041" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "QJWLLTKLFFIZIU-UHFFFAOYSA-N": { "inchikey": "QJWLLTKLFFIZIU-UHFFFAOYSA-N", "inchikey2D": "QJWLLTKLFFIZIU", "names": [ "3-[2-hydroxy-5,10,14-trimethyl-6-(2-methyloxiran-2-yl)-3,8-dioxo-14-(3-oxopentyl)-15-oxatetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadec-4(9)-en-5-yl]propanoic acid" ], "molecular_formula": "C29H40O8", "smiles": "CCC(=O)CCC1(C)OCC23C(O)C(=O)C4=C(C(=O)CC(C5(C)CO5)C4(C)CCC(=O)O)C2(C)CCC13", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0123076" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "QXLYRDZEWGVGFS-UHFFFAOYSA-N": { "inchikey": "QXLYRDZEWGVGFS-UHFFFAOYSA-N", "inchikey2D": "QXLYRDZEWGVGFS", "names": [ "6-{3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H38O7", "smiles": "CC(=CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0197488" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QWFPQDGDUOGOJF-UHFFFAOYSA-N": { "inchikey": "QWFPQDGDUOGOJF-UHFFFAOYSA-N", "inchikey2D": "QWFPQDGDUOGOJF", "names": [ "1-(7-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H46O2", "smiles": "CC(=CCCC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0142566" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DYOKDAQBNHPJFD-UHFFFAOYSA-N": { "inchikey": "DYOKDAQBNHPJFD-UHFFFAOYSA-N", "inchikey2D": "DYOKDAQBNHPJFD", "names": [ "6-{3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O7", "smiles": "CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense", "[query-hint] Wolfiporia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0177437" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma", "INCLUDE:Wolfiporia==Wolfiporia" ] }, "QXLYRDZEWGVGFS-HPLDTLFHSA-N": { "inchikey": "QXLYRDZEWGVGFS-HPLDTLFHSA-N", "inchikey2D": "QXLYRDZEWGVGFS", "names": [ "(2s,5e)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H38O7", "smiles": "C/C(=C\\C(=O)C[C@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0190450" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VKOBVWXKNCXXDE-UHFFFAOYSA-N": { "inchikey": "VKOBVWXKNCXXDE-UHFFFAOYSA-N", "inchikey2D": "VKOBVWXKNCXXDE", "names": [ "arachidic acid" ], "molecular_formula": "C20H40O2", "smiles": "CCCCCCCCCCCCCCCCCCCC(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0171823" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "DFYIKKVNOBCCJO-KUXHGULKSA-N": { "inchikey": "DFYIKKVNOBCCJO-KUXHGULKSA-N", "inchikey2D": "DFYIKKVNOBCCJO", "names": [ "(1r,2s,3s,4as,6s,7r,8as)-1-isopropyl-7-methyl-4-methylidene-octahydro-1h-naphthalene-2,3,6-triol", "Ganomastenol C" ], "molecular_formula": "C15H26O3", "smiles": "C=C1[C@H](O)[C@@H](O)[C@H](C(C)C)[C@H]2C[C@@H](C)[C@@H](O)C[C@H]12", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0205909", "npaid": "NPA010464" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "APMICFQMLNFXRZ-UHFFFAOYSA-N": { "inchikey": "APMICFQMLNFXRZ-UHFFFAOYSA-N", "inchikey2D": "APMICFQMLNFXRZ", "names": [ "4-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pent-4-enoic acid" ], "molecular_formula": "C27H36O6", "smiles": "C=C(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0194126" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "ZYNKTKAKQHBMHK-ARJQYETKSA-N": { "inchikey": "ZYNKTKAKQHBMHK-ARJQYETKSA-N", "inchikey2D": "ZYNKTKAKQHBMHK", "names": [ "Ganoboninketal A", "methyl 3-[(1s,2s,5r,7s,9s,10s,14s,17r)-7-(acetyloxy)-17-ethyl-1,5,10-trimethyl-12-oxo-9-(prop-1-en-2-yl)-16,20-dioxapentacyclo[15.2.1.0²,¹⁴.0⁵,¹⁴.0⁶,¹¹]icos-6(11)-en-10-yl]propanoate" ], "molecular_formula": "C32H46O7", "smiles": "C=C(C)[C@@H]1C[C@H](OC(C)=O)C2=C(C(=O)C[C@]34CO[C@@]5(CC)CC[C@](C)(O5)[C@H]3CC[C@@]24C)[C@@]1(C)CCC(=O)OC", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0259862", "npaid": "NPA012897" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "JGWQYLZHPPFHEH-HZLCHBFMSA-N": { "inchikey": "JGWQYLZHPPFHEH-HZLCHBFMSA-N", "inchikey2D": "JGWQYLZHPPFHEH", "names": [ "(2s,5z)-6-[(1r,3ar,4s,5as,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O7", "smiles": "C/C(=C/C(=O)C[C@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0206442" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "PNCGUZLTHFCOFM-MIRMKWKBSA-N": { "inchikey": "PNCGUZLTHFCOFM-MIRMKWKBSA-N", "inchikey2D": "PNCGUZLTHFCOFM", "names": [ "(2z)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-[(1r,3s)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]but-2-enoic acid", "Ganotheaecoloid D" ], "molecular_formula": "C21H26O6", "smiles": "C=C1CC[C@H](O)C(C)(C)[C@@H]1C/C=C(/CC(=O)c1cc(O)ccc1O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0125412", "npaid": "NPA028098" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "CUFBLDXHAWKOJF-SGWXKGRTSA-N": { "inchikey": "CUFBLDXHAWKOJF-SGWXKGRTSA-N", "inchikey2D": "CUFBLDXHAWKOJF", "names": [ "Ganoderense E", "methyl (3s,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H48O8", "smiles": "COC(=O)C(C)[C@H](O)C(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0144470", "npaid": "NPA024181" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "RHYMEQIZAITVCZ-UHFFFAOYSA-N": { "inchikey": "RHYMEQIZAITVCZ-UHFFFAOYSA-N", "inchikey2D": "RHYMEQIZAITVCZ", "names": [ "methyl 3-[5,10,14-trimethyl-6-(2-methyloxiran-2-yl)-2,3,8-trioxo-14-(3-oxopentyl)-15-oxatetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadec-4(9)-en-5-yl]propanoate" ], "molecular_formula": "C30H40O8", "smiles": "CCC(=O)CCC1(C)OCC23C(=O)C(=O)C4=C(C(=O)CC(C5(C)CO5)C4(C)CCC(=O)OC)C2(C)CCC13", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0195189" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "KZOBOICRKKYGAQ-UHFFFAOYSA-N": { "inchikey": "KZOBOICRKKYGAQ-UHFFFAOYSA-N", "inchikey2D": "KZOBOICRKKYGAQ", "names": [ "6-{3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enal" ], "molecular_formula": "C30H44O3", "smiles": "CC(C=O)=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0166885" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZDSCEDBLFYKSDB-UHFFFAOYSA-N": { "inchikey": "ZDSCEDBLFYKSDB-UHFFFAOYSA-N", "inchikey2D": "ZDSCEDBLFYKSDB", "names": [ "methyl 3-[8'-(acetyloxy)-4-ethyl-1,5',10'-trimethyl-3'-oxo-6'-(prop-1-en-2-yl)-3,7,15'-trioxaspiro[bicyclo[2.2.1]heptane-2,13'-tetracyclo[7.4.2.0¹,¹⁰.0⁴,⁹]pentadecan]-5'-yl]propanoate" ], "molecular_formula": "C32H46O8", "smiles": "C=C(C)C1CC(OC(C)=O)C23OCC4(CC(=O)C2C1(C)CCC(=O)OC)C3(C)CCC41OC2(CC)CCC1(C)O2", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0144682" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "AXPAUZGVNGEWJD-UHFFFAOYSA-N": { "inchikey": "AXPAUZGVNGEWJD-UHFFFAOYSA-N", "inchikey2D": "AXPAUZGVNGEWJD", "names": [ "2-methylhexadecanoic acid" ], "molecular_formula": "C17H34O2", "smiles": "CCCCCCCCCCCCCCC(C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0144978" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "UVTLHLFAIAGPPT-SEBNEYGDSA-N": { "inchikey": "UVTLHLFAIAGPPT-SEBNEYGDSA-N", "inchikey2D": "UVTLHLFAIAGPPT", "names": [ "(2s,3s,4r,4as,8as)-6-(hydroxymethyl)-4-isopropyl-1-methylidene-3,4,4a,7,8,8a-hexahydro-2h-naphthalene-2,3-diol", "Ganomastenol D" ], "molecular_formula": "C15H24O3", "smiles": "C=C1[C@H](O)[C@@H](O)[C@H](C(C)C)[C@H]2C=C(CO)CC[C@H]12", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0147875", "npaid": "NPA007701" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "LZOGONBJGLNWRO-GDBMZVCRSA-N": { "inchikey": "LZOGONBJGLNWRO-GDBMZVCRSA-N", "inchikey2D": "LZOGONBJGLNWRO", "names": [ "(+)-ganotheaecoloid L", "(1r,2r)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-hydroxy-3-methylcyclohex-3-ene-1-carboxylic acid" ], "molecular_formula": "C16H18O6", "smiles": "CC1=CCC[C@](CC(=O)c2cc(O)ccc2O)(C(=O)O)[C@@H]1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0147225", "npaid": "NPA028091" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "AOXXVRDKZLRGTJ-BQNIITSRSA-N": { "inchikey": "AOXXVRDKZLRGTJ-BQNIITSRSA-N", "inchikey2D": "AOXXVRDKZLRGTJ", "names": [ "(1r,3ar,5ar,7s,9as,11ar)-1-[(2r)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol", "Ganodermadiol" ], "molecular_formula": "C30H48O2", "smiles": "CC(=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0146493", "npaid": "NPA013741" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LTJSBYAKDOGXLX-JTJCPSTFSA-N": { "inchikey": "LTJSBYAKDOGXLX-JTJCPSTFSA-N", "inchikey2D": "LTJSBYAKDOGXLX", "names": [ "Lucidenic acid D", "lucidenic acid d" ], "molecular_formula": "C29H38O8", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@H](C)CCC(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0150812", "npaid": "NPA029050" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "OHYSEUXBUNIBRZ-NWKABCBKSA-N": { "inchikey": "OHYSEUXBUNIBRZ-NWKABCBKSA-N", "inchikey2D": "OHYSEUXBUNIBRZ", "names": [ "3-[(1s,5s,6r,10r,13s,14s)-5,10,14-trimethyl-6-[(2s)-2-methyloxiran-2-yl]-3,8-dioxo-14-(3-oxopentyl)-15-oxatetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadec-4(9)-en-5-yl]propanoic acid", "Ganoboninone E" ], "molecular_formula": "C29H40O7", "smiles": "CCC(=O)CC[C@]1(C)OC[C@]23CC(=O)C4=C(C(=O)C[C@@H]([C@@]5(C)CO5)[C@]4(C)CCC(=O)O)[C@]2(C)CC[C@H]13", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0172547", "npaid": "NPA011601" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "SHADMSBHMYIGQQ-MNQXGVLQSA-N": { "inchikey": "SHADMSBHMYIGQQ-MNQXGVLQSA-N", "inchikey2D": "SHADMSBHMYIGQQ", "names": [ "2,5-dihydroxy-2-{3-[(1r,5s)-5-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]propyl}-1-benzofuran-3-one", "Ganotheaecoloid B" ], "molecular_formula": "C20H26O5", "smiles": "CC1=CC[C@H](O)C(C)(C)[C@@H]1CCCC1(O)Oc2ccc(O)cc2C1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0156792", "npaid": "NPA028090" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "ZCBZIKUEIKEDHK-DVVMZBMZSA-N": { "inchikey": "ZCBZIKUEIKEDHK-DVVMZBMZSA-N", "inchikey2D": "ZCBZIKUEIKEDHK", "names": [ "(-)-ganotheaecolumol E", "(3z)-5-(2,5-dihydroxyphenyl)-3-[(2e)-3-[(2s,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]prop-2-en-1-ylidene]furan-2-one" ], "molecular_formula": "C21H24O6", "smiles": "CC(C)(O)[C@@H]1CC[C@@](C)(/C=C/C=C2/C=C(c3cc(O)ccc3O)OC2=O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0156308", "npaid": "NPA022986" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "QWFPQDGDUOGOJF-SPFFTVLFSA-N": { "inchikey": "QWFPQDGDUOGOJF-SPFFTVLFSA-N", "inchikey2D": "QWFPQDGDUOGOJF", "names": [ "(1r,3ar,5ar,9as,11ar)-1-[(2r,5e)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one", "Ganodermenonol" ], "molecular_formula": "C30H46O2", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0190741", "npaid": "NPA005586" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "APMICFQMLNFXRZ-LIFSRMHQSA-N": { "inchikey": "APMICFQMLNFXRZ-LIFSRMHQSA-N", "inchikey2D": "APMICFQMLNFXRZ", "names": [ "20(21)-dehydrolucidenic acid A", "4-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pent-4-enoic acid" ], "molecular_formula": "C27H36O6", "smiles": "C=C(CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0151640", "npaid": "NPA015361" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "ZCMJUAGNOJTZBJ-UFRGZDNTSA-N": { "inchikey": "ZCMJUAGNOJTZBJ-UFRGZDNTSA-N", "inchikey2D": "ZCMJUAGNOJTZBJ", "names": [ "(2r,5s)-2-[(1r,2r,3ar,5ar,7s,9as,11ar)-7-(acetyloxy)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylhept-6-enoic acid" ], "molecular_formula": "C33H52O5", "smiles": "C=C(C)[C@@H](C)CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0143370" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NAETYGPWGSNZTO-QYAYDWPBSA-N": { "inchikey": "NAETYGPWGSNZTO-QYAYDWPBSA-N", "inchikey2D": "NAETYGPWGSNZTO", "names": [ "(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2r,5s,6s)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione", "(24S,25R)-24,25-dihydroxy-3,7-dioxo-5α-lanost-8-en-26-ol" ], "molecular_formula": "C30H48O5", "smiles": "C[C@H](CC[C@H](O)[C@@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0230613", "npaid": "NPA006199" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "CXHFTASPLLKBBA-GHRCFYLDSA-N": { "inchikey": "CXHFTASPLLKBBA-GHRCFYLDSA-N", "inchikey2D": "CXHFTASPLLKBBA", "names": [ "(1r,2s,3s,4as,6s,8as)-1-isopropyl-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1h-naphthalene-2,3,6-triol", "Ganomastenol B" ], "molecular_formula": "C15H24O3", "smiles": "C=C1[C@H](O)[C@@H](O)[C@H](C(C)C)[C@H]2C=C(C)[C@@H](O)C[C@H]12", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0257728", "npaid": "NPA005640" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "VLXRBLIWOFMVDW-UHFFFAOYSA-N": { "inchikey": "VLXRBLIWOFMVDW-UHFFFAOYSA-N", "inchikey2D": "VLXRBLIWOFMVDW", "names": [ "6-hydroxy-2-(9-hydroxy-4,8-dimethylnona-3,7-dien-1-yl)-4-oxo-3h-1-benzopyran-2-carboxylic acid" ], "molecular_formula": "C21H26O6", "smiles": "CC(=CCCC(C)=CCCC1(C(=O)O)CC(=O)c2cc(O)ccc2O1)CO", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0167472" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "DNVPQKQSNYMLRS-PFQWWJQESA-N": { "inchikey": "DNVPQKQSNYMLRS-PFQWWJQESA-N", "inchikey2D": "DNVPQKQSNYMLRS", "names": [ "(1r,3ar,7s,9ar,9bs,11ar)-1-[(2s,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C28H44O", "smiles": "CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Trametes", "[query-hint] Trametes versicolor" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0239437" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Trametes==Trametes", "INCLUDE:Trametes versicolor==Trametes versicolor" ] }, "ZVRMGCSSSYZGSM-CCEZHUSRSA-N": { "inchikey": "ZVRMGCSSSYZGSM-CCEZHUSRSA-N", "inchikey2D": "ZVRMGCSSSYZGSM", "names": [ "hexadecenoic acid" ], "molecular_formula": "C16H30O2", "smiles": "CCCCCCCCCCCCC/C=C/C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0232845" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "LWPLEHFGBRFRKI-ILOYKKKNSA-N": { "inchikey": "LWPLEHFGBRFRKI-ILOYKKKNSA-N", "inchikey2D": "LWPLEHFGBRFRKI", "names": [ "6-[(3ar,5ar,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O7", "smiles": "CC(CC(=O)CC(C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(O)C(C)(C)[C@@H]1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0160242" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "OVUOUFPIPZJGME-DCFZXBADSA-N": { "inchikey": "OVUOUFPIPZJGME-DCFZXBADSA-N", "inchikey2D": "OVUOUFPIPZJGME", "names": [ "(2s,5e)-6-[(1r,3s,3ar,4s,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H42O7", "smiles": "C/C(=C\\C(=O)C[C@H](C)C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0171392" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JHFPPFNPDFTJSI-UHFFFAOYSA-N": { "inchikey": "JHFPPFNPDFTJSI-UHFFFAOYSA-N", "inchikey2D": "JHFPPFNPDFTJSI", "names": [ "2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-11-hydroxy-6,10-dimethylundeca-2,5,9-trienoic acid" ], "molecular_formula": "C21H26O6", "smiles": "CC(=CCCC(C)=CCC=C(CC(=O)c1cc(O)ccc1O)C(=O)O)CO", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0111730" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "SZCAPUAJXOKPIR-KBSASEBOSA-N": { "inchikey": "SZCAPUAJXOKPIR-KBSASEBOSA-N", "inchikey2D": "SZCAPUAJXOKPIR", "names": [ "(1r,3s,3ar,9as,11ar)-3-hydroxy-1-[(2r)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H46O4", "smiles": "C[C@H](CCC=C(CO)CO)[C@H]1C[C@H](O)[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0130283" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "ZYNKTKAKQHBMHK-UHFFFAOYSA-N": { "inchikey": "ZYNKTKAKQHBMHK-UHFFFAOYSA-N", "inchikey2D": "ZYNKTKAKQHBMHK", "names": [ "methyl 3-[7-(acetyloxy)-17-ethyl-1,5,10-trimethyl-12-oxo-9-(prop-1-en-2-yl)-16,20-dioxapentacyclo[15.2.1.0²,¹⁴.0⁵,¹⁴.0⁶,¹¹]icos-6(11)-en-10-yl]propanoate" ], "molecular_formula": "C32H46O7", "smiles": "C=C(C)C1CC(OC(C)=O)C2=C(C(=O)CC34COC5(CC)CCC(C)(O5)C3CCC24C)C1(C)CCC(=O)OC", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0254824" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "LKOVPWSSZFDYPG-UHFFFAOYSA-N": { "inchikey": "LKOVPWSSZFDYPG-UHFFFAOYSA-N", "inchikey2D": "LKOVPWSSZFDYPG", "names": [ "2-octadecenoic acid" ], "molecular_formula": "C18H34O2", "smiles": "CCCCCCCCCCCCCCCC=CC(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0181255" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "LVGXQNCCBAHXHL-QEAJNZDUSA-N": { "inchikey": "LVGXQNCCBAHXHL-QEAJNZDUSA-N", "inchikey2D": "LVGXQNCCBAHXHL", "names": [ "(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoate" ], "molecular_formula": "C38H60O9", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0225326" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JGWQYLZHPPFHEH-UHFFFAOYSA-N": { "inchikey": "JGWQYLZHPPFHEH-UHFFFAOYSA-N", "inchikey2D": "JGWQYLZHPPFHEH", "names": [ "6-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O7", "smiles": "CC(=CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0176295" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DYOKDAQBNHPJFD-JNTBEZBXSA-N": { "inchikey": "DYOKDAQBNHPJFD-JNTBEZBXSA-N", "inchikey2D": "DYOKDAQBNHPJFD", "names": [ "ganoderic acid" ], "molecular_formula": "C30H44O7", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0045951" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "QBAAQLPBKJNUHF-GRIPNWGRSA-N": { "inchikey": "QBAAQLPBKJNUHF-GRIPNWGRSA-N", "inchikey2D": "QBAAQLPBKJNUHF", "names": [ "(2e,6r)-6-[(3ar,5ar,7s,9as,10r,11ar)-7,10-dihydroxy-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoderic acid XL3" ], "molecular_formula": "C30H46O5", "smiles": "C/C(=C\\CC[C@@H](C)C1CC[C@@]2(C)C3=C([C@H](O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0078434", "npaid": "NPA024179" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "KASALCUNLBTNAA-UHFFFAOYSA-N": { "inchikey": "KASALCUNLBTNAA-UHFFFAOYSA-N", "inchikey2D": "KASALCUNLBTNAA", "names": [ "3a,6,6,9a,11a-pentamethyl-1-(5,6,7-trihydroxy-6-methylheptan-2-yl)-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H48O4", "smiles": "CC(CCC(O)C(C)(O)CO)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0058877" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "ZEZOCVNPUPKLKN-KPXGYEOXSA-N": { "inchikey": "ZEZOCVNPUPKLKN-KPXGYEOXSA-N", "inchikey2D": "ZEZOCVNPUPKLKN", "names": [ "(6r)-6-[(3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganoderic acid XL4" ], "molecular_formula": "C30H40O7", "smiles": "CC(CC(=O)C[C@@H](C)C1=CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0269157", "npaid": "NPA024180" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "LCIUOVOXWPIXOR-IYLGIJJASA-N": { "inchikey": "LCIUOVOXWPIXOR-IYLGIJJASA-N", "inchikey2D": "LCIUOVOXWPIXOR", "names": [ "(2r,6r)-6-[(1r,3ar,4s,5ar,9as,11s,11ar)-4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O8", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0221564" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "JHFPPFNPDFTJSI-AFJBDXARSA-N": { "inchikey": "JHFPPFNPDFTJSI-AFJBDXARSA-N", "inchikey2D": "JHFPPFNPDFTJSI", "names": [ "(2z,5e,9e)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-11-hydroxy-6,10-dimethylundeca-2,5,9-trienoic acid", "Ganotheaecolumol K" ], "molecular_formula": "C21H26O6", "smiles": "C/C(=C\\CC/C(C)=C/C/C=C(/CC(=O)c1cc(O)ccc1O)C(=O)O)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0246679", "npaid": "NPA022981" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "VLXRBLIWOFMVDW-NKYXGXTLSA-N": { "inchikey": "VLXRBLIWOFMVDW-NKYXGXTLSA-N", "inchikey2D": "VLXRBLIWOFMVDW", "names": [ "(-)-ganotheaecolumol B", "(2r)-6-hydroxy-2-[(3e,7z)-9-hydroxy-4,8-dimethylnona-3,7-dien-1-yl]-4-oxo-3h-1-benzopyran-2-carboxylic acid" ], "molecular_formula": "C21H26O6", "smiles": "C/C(=C/CC/C(C)=C/CC[C@]1(C(=O)O)CC(=O)c2cc(O)ccc2O1)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0273065", "npaid": "NPA022982" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "LZOGONBJGLNWRO-HOCLYGCPSA-N": { "inchikey": "LZOGONBJGLNWRO-HOCLYGCPSA-N", "inchikey2D": "LZOGONBJGLNWRO", "names": [ "(-)-ganotheaecoloid L", "(1s,2s)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-hydroxy-3-methylcyclohex-3-ene-1-carboxylic acid" ], "molecular_formula": "C16H18O6", "smiles": "CC1=CCC[C@@](CC(=O)c2cc(O)ccc2O)(C(=O)O)[C@H]1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0191163", "npaid": "NPA028100" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "XEZVDURJDFGERA-UHFFFAOYSA-N": { "inchikey": "XEZVDURJDFGERA-UHFFFAOYSA-N", "inchikey2D": "XEZVDURJDFGERA", "names": [ "tricosanoic acid" ], "molecular_formula": "C23H46O2", "smiles": "CCCCCCCCCCCCCCCCCCCCCCC(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0260192" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "CQYCAQYQKRBNHY-UHFFFAOYSA-N": { "inchikey": "CQYCAQYQKRBNHY-UHFFFAOYSA-N", "inchikey2D": "CQYCAQYQKRBNHY", "names": [ "6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enal" ], "molecular_formula": "C30H44O3", "smiles": "CC(C=O)=CCCC(C)C1CC(O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0053594" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QZWDDWNJTJUSCQ-HLQVCFCGSA-N": { "inchikey": "QZWDDWNJTJUSCQ-HLQVCFCGSA-N", "inchikey2D": "QZWDDWNJTJUSCQ", "names": [ "12β-acetoxy-7β-hydroxy-3,11,15,23-tetraoxo-5α-lanosta-8,20-dien-26-oic acid ethyl ester", "ethyl 6-[(1r,3ar,4s,5ar,9as,11s,11ar)-11-(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoate" ], "molecular_formula": "C34H46O9", "smiles": "CCOC(=O)C(C)CC(=O)C=C(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0063855", "npaid": "NPA018204" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "DFYIKKVNOBCCJO-UHFFFAOYSA-N": { "inchikey": "DFYIKKVNOBCCJO-UHFFFAOYSA-N", "inchikey2D": "DFYIKKVNOBCCJO", "names": [ "1-isopropyl-7-methyl-4-methylidene-octahydro-1h-naphthalene-2,3,6-triol" ], "molecular_formula": "C15H26O3", "smiles": "C=C1C(O)C(O)C(C(C)C)C2CC(C)C(O)CC12", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0216152" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "KASALCUNLBTNAA-ZUBRTFANSA-N": { "inchikey": "KASALCUNLBTNAA-ZUBRTFANSA-N", "inchikey2D": "KASALCUNLBTNAA", "names": [ "(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2r,5s,6s)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H48O4", "smiles": "C[C@H](CC[C@H](O)[C@@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0216453" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "SNESRMBZNGFPPA-UHFFFAOYSA-N": { "inchikey": "SNESRMBZNGFPPA-UHFFFAOYSA-N", "inchikey2D": "SNESRMBZNGFPPA", "names": [ "2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-6,10-dimethyl-11-oxoundeca-5,9-dienoic acid" ], "molecular_formula": "C21H24O6", "smiles": "CC(C=O)=CCCC(C)=CCCC(=CC(=O)c1cc(O)ccc1O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0100828" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "DYPIHYCSZZORMA-UHFFFAOYSA-N": { "inchikey": "DYPIHYCSZZORMA-UHFFFAOYSA-N", "inchikey2D": "DYPIHYCSZZORMA", "names": [ "6-hydroxy-6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H40O8", "smiles": "CC(CC(=O)CC(C)(O)C1=CC(O)C2(C)C1(C)C(=O)C=C1C3(C)CCC(=O)C(C)(C)C3CC3OC132)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0261612" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "NKQOQQOOZLPVEV-UHFFFAOYSA-N": { "inchikey": "NKQOQQOOZLPVEV-UHFFFAOYSA-N", "inchikey2D": "NKQOQQOOZLPVEV", "names": [ "1-acetyl-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthrene-3,10-dione" ], "molecular_formula": "C24H34O5", "smiles": "CC(=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0200551" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OVUOUFPIPZJGME-CDKDFBGOSA-N": { "inchikey": "OVUOUFPIPZJGME-CDKDFBGOSA-N", "inchikey2D": "OVUOUFPIPZJGME", "names": [ "(2s,5z)-6-[(1r,3s,3ar,4s,5as,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H42O7", "smiles": "C/C(=C/C(=O)C[C@H](C)C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0211467" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "CEINAMXDMPYDMG-IVVXPXLASA-N": { "inchikey": "CEINAMXDMPYDMG-IVVXPXLASA-N", "inchikey2D": "CEINAMXDMPYDMG", "names": [ "(-)-ganotheaecolumol F", "(5s)-5-(2,5-dihydroxyphenyl)-3-[(3e)-4,8-dimethyl-7-oxonon-3-en-1-yl]-5h-furan-2-one" ], "molecular_formula": "C21H26O5", "smiles": "C/C(=C\\CCC1=C[C@@H](c2cc(O)ccc2O)OC1=O)CCC(=O)C(C)C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0207977", "npaid": "NPA022987" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "OZFGIZLVNSERLN-HIYLDEIPSA-N": { "inchikey": "OZFGIZLVNSERLN-HIYLDEIPSA-N", "inchikey2D": "OZFGIZLVNSERLN", "names": [ "4-(2,5-dihydroxyphenyl)-2-{2-[(1r,5s)-5-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]ethyl}-4-oxobutanoic acid", "Ganotheaecoloid E" ], "molecular_formula": "C21H28O6", "smiles": "CC1=CC[C@H](O)C(C)(C)[C@@H]1CCC(CC(=O)c1cc(O)ccc1O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0232746", "npaid": "NPA028088" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "MOFNDUJXTNIVEF-URUUZNIQSA-N": { "inchikey": "MOFNDUJXTNIVEF-URUUZNIQSA-N", "inchikey2D": "MOFNDUJXTNIVEF", "names": [ "(-)-ganotheaecolumol H", "(2e,6e)-9-[(5s)-5-(2,5-dihydroxyphenyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnona-2,6-dienal" ], "molecular_formula": "C22H26O6", "smiles": "CO[C@@]1(c2cc(O)ccc2O)C=C(CC/C=C(\\C)CC/C=C(\\C)C=O)C(=O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0221204", "npaid": "NPA022977" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "UVTLHLFAIAGPPT-UHFFFAOYSA-N": { "inchikey": "UVTLHLFAIAGPPT-UHFFFAOYSA-N", "inchikey2D": "UVTLHLFAIAGPPT", "names": [ "6-(hydroxymethyl)-4-isopropyl-1-methylidene-3,4,4a,7,8,8a-hexahydro-2h-naphthalene-2,3-diol" ], "molecular_formula": "C15H24O3", "smiles": "C=C1C(O)C(O)C(C(C)C)C2C=C(CO)CCC12", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0226527" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "ZCBZIKUEIKEDHK-UPQUZKIMSA-N": { "inchikey": "ZCBZIKUEIKEDHK-UPQUZKIMSA-N", "inchikey2D": "ZCBZIKUEIKEDHK", "names": [ "(+)-ganotheaecolumol E", "(3z)-5-(2,5-dihydroxyphenyl)-3-[(2e)-3-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]prop-2-en-1-ylidene]furan-2-one" ], "molecular_formula": "C21H24O6", "smiles": "CC(C)(O)[C@H]1CC[C@](C)(/C=C/C=C2/C=C(c3cc(O)ccc3O)OC2=O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0219156", "npaid": "NPA022985" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "ZCMJUAGNOJTZBJ-UHFFFAOYSA-N": { "inchikey": "ZCMJUAGNOJTZBJ-UHFFFAOYSA-N", "inchikey2D": "ZCMJUAGNOJTZBJ", "names": [ "2-[7-(acetyloxy)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylhept-6-enoic acid" ], "molecular_formula": "C33H52O5", "smiles": "C=C(C)C(C)CCC(C(=O)O)C1C(O)CC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0212033" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CXHFTASPLLKBBA-QLKXBERHSA-N": { "inchikey": "CXHFTASPLLKBBA-QLKXBERHSA-N", "inchikey2D": "CXHFTASPLLKBBA", "names": [ "(1r,2s,3s,4as,6r,8as)-1-isopropyl-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1h-naphthalene-2,3,6-triol", "Ganomastenol A" ], "molecular_formula": "C15H24O3", "smiles": "C=C1[C@H](O)[C@@H](O)[C@H](C(C)C)[C@H]2C=C(C)[C@H](O)C[C@H]12", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0080150", "npaid": "NPA011860" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "GBFBBVYGZAABTI-UHFFFAOYSA-N": { "inchikey": "GBFBBVYGZAABTI-UHFFFAOYSA-N", "inchikey2D": "GBFBBVYGZAABTI", "names": [ "methyl 6-{3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O7", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0186078" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DFYIKKVNOBCCJO-ZUZKLYQVSA-N": { "inchikey": "DFYIKKVNOBCCJO-ZUZKLYQVSA-N", "inchikey2D": "DFYIKKVNOBCCJO", "names": [ "(1r,2s,3s,4as,6s,7r,8ar)-1-isopropyl-7-methyl-4-methylidene-octahydro-1h-naphthalene-2,3,6-triol" ], "molecular_formula": "C15H26O3", "smiles": "C=C1[C@H](O)[C@@H](O)[C@H](C(C)C)[C@@H]2C[C@@H](C)[C@@H](O)C[C@H]12", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0226393" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "QJWLLTKLFFIZIU-YEEGFRLSSA-N": { "inchikey": "QJWLLTKLFFIZIU-YEEGFRLSSA-N", "inchikey2D": "QJWLLTKLFFIZIU", "names": [ "3-[(1r,2r,5s,6r,10r,13s,14s)-2-hydroxy-5,10,14-trimethyl-6-[(2s)-2-methyloxiran-2-yl]-3,8-dioxo-14-(3-oxopentyl)-15-oxatetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadec-4(9)-en-5-yl]propanoic acid", "Ganoboninone C" ], "molecular_formula": "C29H40O8", "smiles": "CCC(=O)CC[C@]1(C)OC[C@@]23[C@@H]1CC[C@@]2(C)C1=C(C(=O)[C@@H]3O)[C@@](C)(CCC(=O)O)[C@H]([C@@]2(C)CO2)CC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0039173", "npaid": "NPA015979" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "POMQYGOTGJUISL-HHPINVIBSA-N": { "inchikey": "POMQYGOTGJUISL-HHPINVIBSA-N", "inchikey2D": "POMQYGOTGJUISL", "names": [ "(1s,3s,6r,7s,10r,11r,14s,15s,16r)-11-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-17,18-dioxapentacyclo[14.2.1.0¹,⁶.0⁷,¹⁵.0¹⁰,¹⁴]nonadecan-3-ol" ], "molecular_formula": "C28H46O3", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@]12C[C@H]3OO2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0239691" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZROQCPFOIGVEOJ-UHFFFAOYSA-N": { "inchikey": "ZROQCPFOIGVEOJ-UHFFFAOYSA-N", "inchikey2D": "ZROQCPFOIGVEOJ", "names": [ "6-{3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enal" ], "molecular_formula": "C30H44O3", "smiles": "CC(C=O)=CCCC(C)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0208336" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LIJZGBVDQCTWLG-RVFLQCAWSA-N": { "inchikey": "LIJZGBVDQCTWLG-RVFLQCAWSA-N", "inchikey2D": "LIJZGBVDQCTWLG", "names": [ "Ganodermatriol", "ganodermatriol" ], "molecular_formula": "C30H48O3", "smiles": "C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0201956", "npaid": "NPA007576" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "OVUOUFPIPZJGME-LEMQTWOJSA-N": { "inchikey": "OVUOUFPIPZJGME-LEMQTWOJSA-N", "inchikey2D": "OVUOUFPIPZJGME", "names": [ "(2r,5z)-6-[(3s,3ar,4s,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H42O7", "smiles": "C/C(=C/C(=O)C[C@@H](C)C(=O)O)C1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0195680" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JDJYGTTUJIPOEF-QHSLDKKCSA-N": { "inchikey": "JDJYGTTUJIPOEF-QHSLDKKCSA-N", "inchikey2D": "JDJYGTTUJIPOEF", "names": [ "(2e)-4-(2,5-dihydroxyphenyl)-2-{2-[(5s)-5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]ethyl}-4-oxobut-2-enoic acid", "Ganotheaecoloid F" ], "molecular_formula": "C21H26O6", "smiles": "CC1=C(CC/C(=C\\C(=O)c2cc(O)ccc2O)C(=O)O)C(C)(C)[C@@H](O)CC1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0231228", "npaid": "NPA028097" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "JGWQYLZHPPFHEH-BPGZZXQISA-N": { "inchikey": "JGWQYLZHPPFHEH-BPGZZXQISA-N", "inchikey2D": "JGWQYLZHPPFHEH", "names": [ "(2s,5e)-6-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O7", "smiles": "C/C(=C\\C(=O)C[C@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0225272" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CQYCAQYQKRBNHY-HPCMVBPFSA-N": { "inchikey": "CQYCAQYQKRBNHY-HPCMVBPFSA-N", "inchikey2D": "CQYCAQYQKRBNHY", "names": [ "(+)-(5α,24E)-15α-hydroxylanosta-7,9(11),24-trien-3-oxo-26-AL", "(2e,6r)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enal" ], "molecular_formula": "C30H44O3", "smiles": "C/C(C=O)=C\\CC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0017544", "npaid": "NPA023764" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FGUBEKCWBCCEIB-UHFFFAOYSA-N": { "inchikey": "FGUBEKCWBCCEIB-UHFFFAOYSA-N", "inchikey2D": "FGUBEKCWBCCEIB", "names": [ "6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O7", "smiles": "CC(=CC(=O)CC(C)C(=O)O)C1CC(O)C2(C)C1(C)C(=O)C=C1C3(C)CCC(=O)C(C)(C)C3CC3OC132", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0258950" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "KHMZFMPQPFGSOS-MJJUKISYSA-N": { "inchikey": "KHMZFMPQPFGSOS-MJJUKISYSA-N", "inchikey2D": "KHMZFMPQPFGSOS", "names": [ "20-hydroxylucidenic acid N", "4-[(1s,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxypentanoic acid" ], "molecular_formula": "C27H40O7", "smiles": "CC(O)(CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0159828", "npaid": "NPA016835" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "SZCAPUAJXOKPIR-KDAMQPMJSA-N": { "inchikey": "SZCAPUAJXOKPIR-KDAMQPMJSA-N", "inchikey2D": "SZCAPUAJXOKPIR", "names": [ "(1r,3s,3ar,5as,9as,11ar)-3-hydroxy-1-[(2r)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H46O4", "smiles": "C[C@H](CCC=C(CO)CO)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0055284" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "NJZMSAAKSXZIEC-UQOIKQOMSA-N": { "inchikey": "NJZMSAAKSXZIEC-UQOIKQOMSA-N", "inchikey2D": "NJZMSAAKSXZIEC", "names": [ "(2e,6r)-6-[(1r,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoderic acid β" ], "molecular_formula": "C30H44O6", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0255565", "npaid": "NPA009133" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "FIWGZIBLJWZUEA-NFOHWCJDSA-N": { "inchikey": "FIWGZIBLJWZUEA-NFOHWCJDSA-N", "inchikey2D": "FIWGZIBLJWZUEA", "names": [ "(2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid" ], "molecular_formula": "C32H50O4", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)C(=O)O)[C@@]1(C)CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0249784" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "QXLYRDZEWGVGFS-AEXREGANSA-N": { "inchikey": "QXLYRDZEWGVGFS-AEXREGANSA-N", "inchikey2D": "QXLYRDZEWGVGFS", "names": [ "(5z)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid", "Ganoderenic acid F" ], "molecular_formula": "C30H38O7", "smiles": "C/C(=C/C(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0261951", "npaid": "NPA008094" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LWPLEHFGBRFRKI-NBCWKOIPSA-N": { "inchikey": "LWPLEHFGBRFRKI-NBCWKOIPSA-N", "inchikey2D": "LWPLEHFGBRFRKI", "names": [ "ganoderic acid b" ], "molecular_formula": "C30H44O7", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0063853" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "AZCYHVVCJDPVDB-MXYUDKIHSA-N": { "inchikey": "AZCYHVVCJDPVDB-MXYUDKIHSA-N", "inchikey2D": "AZCYHVVCJDPVDB", "names": [ "Ganoboninketal B", "methyl 3-[(1s,2s,5r,9s,10s,14s,17r)-17-ethyl-1,5,10-trimethyl-7,12-dioxo-9-(prop-1-en-2-yl)-16,20-dioxapentacyclo[15.2.1.0²,¹⁴.0⁵,¹⁴.0⁶,¹¹]icos-6(11)-en-10-yl]propanoate" ], "molecular_formula": "C30H42O6", "smiles": "C=C(C)[C@@H]1CC(=O)C2=C(C(=O)C[C@]34CO[C@@]5(CC)CC[C@](C)(O5)[C@H]3CC[C@@]24C)[C@@]1(C)CCC(=O)OC", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0045487", "npaid": "NPA001346" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "SNESRMBZNGFPPA-SMAAXYDBSA-N": { "inchikey": "SNESRMBZNGFPPA-SMAAXYDBSA-N", "inchikey2D": "SNESRMBZNGFPPA", "names": [ "(2z,5e,9e)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-6,10-dimethyl-11-oxoundeca-5,9-dienoic acid", "Ganotheaecolumol J" ], "molecular_formula": "C21H24O6", "smiles": "C/C(C=O)=C\\CC/C(C)=C/CC/C(=C/C(=O)c1cc(O)ccc1O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0060736", "npaid": "NPA022979" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "SXBOKJLQZQAVPU-MRRHUKJASA-N": { "inchikey": "SXBOKJLQZQAVPU-MRRHUKJASA-N", "inchikey2D": "SXBOKJLQZQAVPU", "names": [ "(5z)-6-[(1r,3ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid", "Resinacein K" ], "molecular_formula": "C30H40O7", "smiles": "C/C(=C/C(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0058865", "npaid": "NPA023685" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "OQZUHLHZZSDZKQ-XIGXGDJXSA-N": { "inchikey": "OQZUHLHZZSDZKQ-XIGXGDJXSA-N", "inchikey2D": "OQZUHLHZZSDZKQ", "names": [ "(±)-ganotheaecolumol D", "2,5-dihydroxy-2-[(4z,8e)-10-hydroxy-5,9-dimethyldeca-4,8-dien-1-yl]-1-benzofuran-3-one" ], "molecular_formula": "C20H26O5", "smiles": "C/C(=C/CCCC1(O)Oc2ccc(O)cc2C1=O)CC/C=C(\\C)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0058482", "npaid": "NPA022984" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "ASUPBUQSWCPYPH-HDXHAILPSA-N": { "inchikey": "ASUPBUQSWCPYPH-HDXHAILPSA-N", "inchikey2D": "ASUPBUQSWCPYPH", "names": [ "3-[(1r,5s,6r,10s,13s,14s)-5,10,14-trimethyl-6-[(2s)-2-methyloxiran-2-yl]-2,3,8-trioxo-14-(3-oxopentyl)-15-oxatetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadec-4(9)-en-5-yl]propanoic acid", "Ganoboninone A" ], "molecular_formula": "C29H38O8", "smiles": "CCC(=O)CC[C@]1(C)OC[C@]23C(=O)C(=O)C4=C(C(=O)C[C@@H]([C@@]5(C)CO5)[C@]4(C)CCC(=O)O)[C@]2(C)CC[C@H]13", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0244781", "npaid": "NPA015990" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "GBFBBVYGZAABTI-JAKLPTDZSA-N": { "inchikey": "GBFBBVYGZAABTI-JAKLPTDZSA-N", "inchikey2D": "GBFBBVYGZAABTI", "names": [ "methyl (2r,6r)-6-[(1r,3s,3ar,4r,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O7", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0054379" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NNMYUEIQQGJWFO-UHFFFAOYSA-N": { "inchikey": "NNMYUEIQQGJWFO-UHFFFAOYSA-N", "inchikey2D": "NNMYUEIQQGJWFO", "names": [ "2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoic acid" ], "molecular_formula": "C21H26O6", "smiles": "CC(=CCCC(C)=CCCC(=CC(=O)c1cc(O)ccc1O)C(=O)O)CO", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0012355" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "PZBNMAFUFCEVHI-USNDCAFGSA-N": { "inchikey": "PZBNMAFUFCEVHI-USNDCAFGSA-N", "inchikey2D": "PZBNMAFUFCEVHI", "names": [ "(2r,5r,6r,9s,17r)-5-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-14,17-dihydroxy-6,9-dimethyltetracyclo[7.7.1.0²,⁶.0¹³,¹⁷]heptadeca-1(16),11,13-trien-15-one", "Ganotheaecolin A" ], "molecular_formula": "C28H40O3", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)C(O)=C4C=CC[C@](C)(CC[C@@]21C)[C@@]34O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0009174", "npaid": "NPA023815" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "DCXSLOVKLLXMQB-UHFFFAOYSA-N": { "inchikey": "DCXSLOVKLLXMQB-UHFFFAOYSA-N", "inchikey2D": "DCXSLOVKLLXMQB", "names": [ "3-[8-(acetyloxy)-5,10,14-trimethyl-3-oxo-14-(3-oxopentyl)-6-(prop-1-en-2-yl)-15-oxatetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadec-4(9)-en-5-yl]propanoic acid" ], "molecular_formula": "C31H44O7", "smiles": "C=C(C)C1CC(OC(C)=O)C2=C(C(=O)CC34COC(C)(CCC(=O)CC)C3CCC24C)C1(C)CCC(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0013283" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "PVCVEWPCBZFEKN-HYLPBBCWSA-N": { "inchikey": "PVCVEWPCBZFEKN-HYLPBBCWSA-N", "inchikey2D": "PVCVEWPCBZFEKN", "names": [ "(2r)-2-[(3ar)-7-(acetyloxy)-3a,6,6,9a,11,11a-hexamethyl-2-oxo-1h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid" ], "molecular_formula": "C33H50O5", "smiles": "CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)[C@]1(C)CC(=O)C([C@@H](CCC=C(C)C)C(=O)O)C1(C)C(C)C3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0000998" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JVGJXXNUVVQEIG-MLHITDCTSA-N": { "inchikey": "JVGJXXNUVVQEIG-MLHITDCTSA-N", "inchikey2D": "JVGJXXNUVVQEIG", "names": [ "(3ar,5ar,9as,11ar)-1-[7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H46O3", "smiles": "CC(CCC=C(CO)CO)C1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0016028" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "KHMZFMPQPFGSOS-UHFFFAOYSA-N": { "inchikey": "KHMZFMPQPFGSOS-UHFFFAOYSA-N", "inchikey2D": "KHMZFMPQPFGSOS", "names": [ "4-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-4-hydroxypentanoic acid" ], "molecular_formula": "C27H40O7", "smiles": "CC(O)(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0022911" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "LCIUOVOXWPIXOR-UHFFFAOYSA-N": { "inchikey": "LCIUOVOXWPIXOR-UHFFFAOYSA-N", "inchikey2D": "LCIUOVOXWPIXOR", "names": [ "6-{4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O8", "smiles": "CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0246769" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "YZAVAPOFLJHTST-MNQXGVLQSA-N": { "inchikey": "YZAVAPOFLJHTST-MNQXGVLQSA-N", "inchikey2D": "YZAVAPOFLJHTST", "names": [ "2,5-dihydroxy-2-{3-[(1r,3s)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]propyl}-1-benzofuran-3-one", "Ganotheaecoloid A" ], "molecular_formula": "C20H26O5", "smiles": "C=C1CC[C@H](O)C(C)(C)[C@@H]1CCCC1(O)Oc2ccc(O)cc2C1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0000476", "npaid": "NPA028089" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "ZVRMGCSSSYZGSM-UHFFFAOYSA-N": { "inchikey": "ZVRMGCSSSYZGSM-UHFFFAOYSA-N", "inchikey2D": "ZVRMGCSSSYZGSM", "names": [ "t-2-hexadecenoic acid" ], "molecular_formula": "C16H30O2", "smiles": "CCCCCCCCCCCCCC=CC(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0018522" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "ZCBZIKUEIKEDHK-UHFFFAOYSA-N": { "inchikey": "ZCBZIKUEIKEDHK-UHFFFAOYSA-N", "inchikey2D": "ZCBZIKUEIKEDHK", "names": [ "5-(2,5-dihydroxyphenyl)-3-{3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]prop-2-en-1-ylidene}furan-2-one" ], "molecular_formula": "C21H24O6", "smiles": "CC1(C=CC=C2C=C(c3cc(O)ccc3O)OC2=O)CCC(C(C)(C)O)O1", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0032498" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "DQHIGCCLMVVSPZ-UHFFFAOYSA-N": { "inchikey": "DQHIGCCLMVVSPZ-UHFFFAOYSA-N", "inchikey2D": "DQHIGCCLMVVSPZ", "names": [ "9-[5-(2,5-dihydroxyphenyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnona-2,6-dienoic acid" ], "molecular_formula": "C22H26O7", "smiles": "COC1(c2cc(O)ccc2O)C=C(CCC=C(C)CCC=C(C)C(=O)O)C(=O)O1", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0028737" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "CWKRZZXKJFNDBT-UHFFFAOYSA-N": { "inchikey": "CWKRZZXKJFNDBT-UHFFFAOYSA-N", "inchikey2D": "CWKRZZXKJFNDBT", "names": [ "methyl 2-methyl-4-oxo-6-{3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}heptanoate" ], "molecular_formula": "C31H46O7", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1=CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0033006" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "WHVXPOKOWPLVPS-UHFFFAOYSA-N": { "inchikey": "WHVXPOKOWPLVPS-UHFFFAOYSA-N", "inchikey2D": "WHVXPOKOWPLVPS", "names": [ "methyl 3-[2-hydroxy-5,10,14-trimethyl-6-(2-methyloxiran-2-yl)-3,8-dioxo-14-(3-oxopentyl)-15-oxatetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadec-4(9)-en-5-yl]propanoate" ], "molecular_formula": "C30H42O8", "smiles": "CCC(=O)CCC1(C)OCC23C(O)C(=O)C4=C(C(=O)CC(C5(C)CO5)C4(C)CCC(=O)OC)C2(C)CCC13", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0028896" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "QECQJYAIIIIKJB-UHFFFAOYSA-N": { "inchikey": "QECQJYAIIIIKJB-UHFFFAOYSA-N", "inchikey2D": "QECQJYAIIIIKJB", "names": [ "6-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H42O7", "smiles": "CC(=CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0050310" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MKQIFVOOVMGNKO-LQWHRVPQSA-N": { "inchikey": "MKQIFVOOVMGNKO-LQWHRVPQSA-N", "inchikey2D": "MKQIFVOOVMGNKO", "names": [ "(5ar,7s,9as)-3-[2-(2,5-dihydroxyphenyl)ethylidene]-7-hydroxy-6,6,9a-trimethyl-hexahydro-1-benzoxepin-2-one", "Ganotheaecoloid K" ], "molecular_formula": "C21H28O5", "smiles": "CC1(C)[C@@H](O)CC[C@]2(C)OC(=O)C(=CCc3cc(O)ccc3O)CC[C@H]12", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0113885", "npaid": "NPA028096" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "WHVXPOKOWPLVPS-CAYUPQFCSA-N": { "inchikey": "WHVXPOKOWPLVPS-CAYUPQFCSA-N", "inchikey2D": "WHVXPOKOWPLVPS", "names": [ "Ganoboninone D", "methyl 3-[(1r,2r,5s,6r,10r,13s,14s)-2-hydroxy-5,10,14-trimethyl-6-[(2s)-2-methyloxiran-2-yl]-3,8-dioxo-14-(3-oxopentyl)-15-oxatetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadec-4(9)-en-5-yl]propanoate" ], "molecular_formula": "C30H42O8", "smiles": "CCC(=O)CC[C@]1(C)OC[C@@]23[C@@H]1CC[C@@]2(C)C1=C(C(=O)[C@@H]3O)[C@@](C)(CCC(=O)OC)[C@H]([C@@]2(C)CO2)CC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0040463", "npaid": "NPA017363" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "QZWDDWNJTJUSCQ-UHFFFAOYSA-N": { "inchikey": "QZWDDWNJTJUSCQ-UHFFFAOYSA-N", "inchikey2D": "QZWDDWNJTJUSCQ", "names": [ "ethyl 6-[11-(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoate" ], "molecular_formula": "C34H46O9", "smiles": "CCOC(=O)C(C)CC(=O)C=C(C)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0044214" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "KZOBOICRKKYGAQ-GOUGDUPLSA-N": { "inchikey": "KZOBOICRKKYGAQ-GOUGDUPLSA-N", "inchikey2D": "KZOBOICRKKYGAQ", "names": [ "Lucialdehyde B", "lucialdehyde b" ], "molecular_formula": "C30H44O3", "smiles": "C/C(C=O)=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0236968", "npaid": "NPA016849" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AZCYHVVCJDPVDB-UHFFFAOYSA-N": { "inchikey": "AZCYHVVCJDPVDB-UHFFFAOYSA-N", "inchikey2D": "AZCYHVVCJDPVDB", "names": [ "methyl 3-[17-ethyl-1,5,10-trimethyl-7,12-dioxo-9-(prop-1-en-2-yl)-16,20-dioxapentacyclo[15.2.1.0²,¹⁴.0⁵,¹⁴.0⁶,¹¹]icos-6(11)-en-10-yl]propanoate" ], "molecular_formula": "C30H42O6", "smiles": "C=C(C)C1CC(=O)C2=C(C(=O)CC34COC5(CC)CCC(C)(O5)C3CCC24C)C1(C)CCC(=O)OC", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0132329" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "CXHFTASPLLKBBA-UHFFFAOYSA-N": { "inchikey": "CXHFTASPLLKBBA-UHFFFAOYSA-N", "inchikey2D": "CXHFTASPLLKBBA", "names": [ "1-isopropyl-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1h-naphthalene-2,3,6-triol" ], "molecular_formula": "C15H24O3", "smiles": "C=C1C(O)C(O)C(C(C)C)C2C=C(C)C(O)CC12", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0113033" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "MOFNDUJXTNIVEF-GPBMSMNOSA-N": { "inchikey": "MOFNDUJXTNIVEF-GPBMSMNOSA-N", "inchikey2D": "MOFNDUJXTNIVEF", "names": [ "(+)-ganotheaecolumol H", "(2e,6e)-9-[(5r)-5-(2,5-dihydroxyphenyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnona-2,6-dienal" ], "molecular_formula": "C22H26O6", "smiles": "CO[C@]1(c2cc(O)ccc2O)C=C(CC/C=C(\\C)CC/C=C(\\C)C=O)C(=O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0106797", "npaid": "NPA022976" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "JOBLRYCXNURCQI-LJWDBMQJSA-N": { "inchikey": "JOBLRYCXNURCQI-LJWDBMQJSA-N", "inchikey2D": "JOBLRYCXNURCQI", "names": [ "5-(2,5-dihydroxyphenyl)-5-hydroxy-3-{2-[(1r,3s)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]ethyl}furan-2-one", "Ganotheaecoloid I" ], "molecular_formula": "C21H26O6", "smiles": "C=C1CC[C@H](O)C(C)(C)[C@@H]1CCC1=CC(O)(c2cc(O)ccc2O)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0037810", "npaid": "NPA028087" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "DQHIGCCLMVVSPZ-WXGMBTBMSA-N": { "inchikey": "DQHIGCCLMVVSPZ-WXGMBTBMSA-N", "inchikey2D": "DQHIGCCLMVVSPZ", "names": [ "(+)-ganotheaecolumol G", "(2e,6e)-9-[(5r)-5-(2,5-dihydroxyphenyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnona-2,6-dienoic acid" ], "molecular_formula": "C22H26O7", "smiles": "CO[C@]1(c2cc(O)ccc2O)C=C(CC/C=C(\\C)CC/C=C(\\C)C(=O)O)C(=O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0036678", "npaid": "NPA022974" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "VMEFPSOTFFVAQJ-LGKLTMGLSA-N": { "inchikey": "VMEFPSOTFFVAQJ-LGKLTMGLSA-N", "inchikey2D": "VMEFPSOTFFVAQJ", "names": [ "(2s,3s,6r)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylheptane-1,2,3-triol" ], "molecular_formula": "C30H50O4", "smiles": "C[C@H](CC[C@H](O)[C@@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0039372" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "NAETYGPWGSNZTO-KWQAPHHTSA-N": { "inchikey": "NAETYGPWGSNZTO-KWQAPHHTSA-N", "inchikey2D": "NAETYGPWGSNZTO", "names": [ "(1s,3as,5ar,9ar,11as)-3a,6,6,9a,11a-pentamethyl-1-[(2s,5s,6r)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione" ], "molecular_formula": "C30H48O5", "smiles": "C[C@@H](CC[C@H](O)[C@](C)(O)CO)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0022305" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "QECQJYAIIIIKJB-VWSQYEFHSA-N": { "inchikey": "QECQJYAIIIIKJB-VWSQYEFHSA-N", "inchikey2D": "QECQJYAIIIIKJB", "names": [ "(2s,5e)-6-[(1r,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H42O7", "smiles": "C/C(=C\\C(=O)C[C@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0134091" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZROQCPFOIGVEOJ-XKPQIJIDSA-N": { "inchikey": "ZROQCPFOIGVEOJ-XKPQIJIDSA-N", "inchikey2D": "ZROQCPFOIGVEOJ", "names": [ "(2e,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enal" ], "molecular_formula": "C30H44O3", "smiles": "C/C(C=O)=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0051191" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MOFNDUJXTNIVEF-UHFFFAOYSA-N": { "inchikey": "MOFNDUJXTNIVEF-UHFFFAOYSA-N", "inchikey2D": "MOFNDUJXTNIVEF", "names": [ "9-[5-(2,5-dihydroxyphenyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnona-2,6-dienal" ], "molecular_formula": "C22H26O6", "smiles": "COC1(c2cc(O)ccc2O)C=C(CCC=C(C)CCC=C(C)C=O)C(=O)O1", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0267307" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "FCBRYGVFLPXTSC-WDOSNPKHSA-N": { "inchikey": "FCBRYGVFLPXTSC-WDOSNPKHSA-N", "inchikey2D": "FCBRYGVFLPXTSC", "names": [ "5-(2,5-dihydroxyphenyl)-3-{2-[(1r,3s)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]ethyl}-5h-furan-2-one", "Ganotheaecoloid G/H" ], "molecular_formula": "C21H26O5", "smiles": "C=C1CC[C@H](O)C(C)(C)[C@@H]1CCC1=CC(c2cc(O)ccc2O)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0038047", "npaid": "NPA028094" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "LABIJKGJRWZQNA-HIYLDEIPSA-N": { "inchikey": "LABIJKGJRWZQNA-HIYLDEIPSA-N", "inchikey2D": "LABIJKGJRWZQNA", "names": [ "4-(2,5-dihydroxyphenyl)-2-{2-[(1r,3s)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]ethyl}-4-oxobutanoic acid", "Ganotheaecoloid C" ], "molecular_formula": "C21H28O6", "smiles": "C=C1CC[C@H](O)C(C)(C)[C@@H]1CCC(CC(=O)c1cc(O)ccc1O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0120284", "npaid": "NPA028099" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "ZEZOCVNPUPKLKN-UHFFFAOYSA-N": { "inchikey": "ZEZOCVNPUPKLKN-UHFFFAOYSA-N", "inchikey2D": "ZEZOCVNPUPKLKN", "names": [ "6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H40O7", "smiles": "CC(CC(=O)CC(C)C1=CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0089431" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "PSHCXKAIPOIWJR-FWZHVETRSA-N": { "inchikey": "PSHCXKAIPOIWJR-FWZHVETRSA-N", "inchikey2D": "PSHCXKAIPOIWJR", "names": [ "5-(2,5-dihydroxyphenyl)-5-methoxy-3-{2-[(1r,2r,4s)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]ethyl}furan-2-one", "Ganotheaecoloid J" ], "molecular_formula": "C22H28O6", "smiles": 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"toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "HANKWAXOCUEZTC-BEGPYRORSA-N": { "inchikey": "HANKWAXOCUEZTC-BEGPYRORSA-N", "inchikey2D": "HANKWAXOCUEZTC", "names": [ "(6ar,6bs,8ar,12ar,14as,14br)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,6,7,8,9,10,12,12a,14,14a-decahydro-1h-picen-3-one" ], "molecular_formula": "C30H46O", "smiles": "CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5=CC[C@]43C)[C@@H]2C1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0194779" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "YQOMGYYSWFJSPK-UHFFFAOYSA-N": { "inchikey": "YQOMGYYSWFJSPK-UHFFFAOYSA-N", "inchikey2D": "YQOMGYYSWFJSPK", "names": [ "2-{5-hydroxy-4-methyl-5h,6h,7h-cyclopenta[c]pyridin-1-yl}benzene-1,4-diol" ], "molecular_formula": "C15H15NO3", "smiles": 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"smiles": "CC(CC(=O)CC(C)C1CC(=O)C2C3=C(C(=O)CC21C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0183331" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "NKSKUMZWMJJCOG-DZKIICNBSA-N": { "inchikey": "NKSKUMZWMJJCOG-DZKIICNBSA-N", "inchikey2D": "NKSKUMZWMJJCOG", "names": [ "(+)-applanatumol M", "(1s,4s,5s)-4-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-6-methylidene-2-oxabicyclo[2.2.2]octan-3-one" ], "molecular_formula": "C16H16O6", "smiles": "C=C1[C@@H]2CC[C@@](CC(=O)c3cc(O)ccc3O)(C(=O)O2)[C@H]1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0197052", "npaid": "NPA005078" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "YOMOWVJLKFVSNZ-UHFFFAOYSA-N": { "inchikey": "YOMOWVJLKFVSNZ-UHFFFAOYSA-N", "inchikey2D": "YOMOWVJLKFVSNZ", "names": [ "4-methoxy-3a,6,6,9a,11a-pentamethyl-1-(5,6,7-trihydroxy-6-methylheptan-2-yl)-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C31H52O5", "smiles": "COC1CC2C(C)(C)C(=O)CCC2(C)C2=C1C1(C)CCC(C(C)CCC(O)C(C)(O)CO)C1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0136254" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JYNAFHGXISHKLU-LAGIPVKXSA-N": { "inchikey": "JYNAFHGXISHKLU-LAGIPVKXSA-N", "inchikey2D": "JYNAFHGXISHKLU", "names": [ "3-[(1s,2s,5r,9r,10s,14s,17r)-17-ethyl-1,5,10-trimethyl-9-(2-methyloxiran-2-yl)-7,12-dioxo-16,20-dioxapentacyclo[15.2.1.0²,¹⁴.0⁵,¹⁴.0⁶,¹¹]icos-6(11)-en-10-yl]propanoic acid", "Ganoboninketal F" ], "molecular_formula": "C29H40O7", "smiles": "CC[C@]12CC[C@](C)(O1)[C@H]1CC[C@@]3(C)C4=C(C(=O)C[C@]13CO2)[C@@](C)(CCC(=O)O)[C@H](C1(C)CO1)CC4=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0197891", "npaid": "NPA027735" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "ZNQTVDWBXOHGDP-BMPWRIHXSA-N": { "inchikey": "ZNQTVDWBXOHGDP-BMPWRIHXSA-N", "inchikey2D": "ZNQTVDWBXOHGDP", "names": [ "(1r,3ar,5r,5ar,7s,9ar,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-5-methoxy-9a,11a-dimethyl-1h,2h,3h,5h,6h,7h,8h,9h,11h-cyclopenta[a]phenanthrene-3a,5a,7-triol", "(22E,24R)-6β-methoxyergosta-7,9 (11),22- trien-3β,5α,14β-triol" ], "molecular_formula": "C29H46O4", "smiles": "CO[C@@H]1C=C2C(=CC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@]23O)[C@@]2(C)CC[C@H](O)C[C@]12O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0197746", "npaid": "NPA025981" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "RXLRLJSRXDHQCH-UHFFFAOYSA-N": { "inchikey": "RXLRLJSRXDHQCH-UHFFFAOYSA-N", "inchikey2D": "RXLRLJSRXDHQCH", "names": [ "5-(acetyloxy)-6-[7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O6", "smiles": "CC(=O)OC(CC=C(C)C(=O)O)C(C)C1CCC2(C)C3=CCC4C(C)(CCC(OC(C)=O)C4(C)C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0132966" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CFBBUWFXWSYJHB-HEYXRKOXSA-N": { "inchikey": "CFBBUWFXWSYJHB-HEYXRKOXSA-N", "inchikey2D": "CFBBUWFXWSYJHB", "names": [ "(2e,6r)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enal" ], "molecular_formula": "C30H46O3", "smiles": "C/C(C=O)=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0202035" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KAIVGEVOBNIWLR-QIBDZGQISA-N": { "inchikey": "KAIVGEVOBNIWLR-QIBDZGQISA-N", "inchikey2D": "KAIVGEVOBNIWLR", "names": [ "(1r,3ar,5ar,7s,9ar,9bs,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-5a,7-dihydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one" ], "molecular_formula": "C28H44O3", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Grifola", "[query-hint] Pleurotus", "[query-hint] Pleurotus eryngii" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0132734" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Grifola==Grifola", "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus eryngii==Pleurotus eryngii" ] }, "VLILOXNRSPUUFE-KZEAGTKASA-N": { "inchikey": "VLILOXNRSPUUFE-KZEAGTKASA-N", "inchikey2D": "VLILOXNRSPUUFE", "names": [ "methyl (5e)-6-[(1r,3s,3ar,4s,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoate" ], "molecular_formula": "C31H44O7", "smiles": "COC(=O)C(C)CC(=O)/C=C(\\C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0043605" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PETCHQVIMLVZNY-UHFFFAOYSA-N": { "inchikey": "PETCHQVIMLVZNY-UHFFFAOYSA-N", "inchikey2D": "PETCHQVIMLVZNY", "names": [ "2-(5-hydroxypyridin-2-yl)pyran-4-one", "Petchine" ], "molecular_formula": "C10H7NO3", "smiles": "O=c1ccoc(-c2ccc(O)cn2)c1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0060530", "npaid": "NPA016059" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "XRXBNTYHQXKSAO-BPCOHUPZSA-N": { "inchikey": "XRXBNTYHQXKSAO-BPCOHUPZSA-N", "inchikey2D": "XRXBNTYHQXKSAO", "names": [ "(2r,6r)-6-[(1s,3s,3as,5as,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O6", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0198868" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FKJPUWHTFMQAOG-LVJSAQGRSA-N": { "inchikey": "FKJPUWHTFMQAOG-LVJSAQGRSA-N", "inchikey2D": "FKJPUWHTFMQAOG", "names": [ "(2e,6r)-6-[(3ar,7s,11s)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H42O8", "smiles": "C/C(=C\\C(O)C[C@@H](C)C1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)C12C)C1(C)CC[C@H](O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0217095" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QVBJFSJKFHBAPS-UHFFFAOYSA-N": { "inchikey": "QVBJFSJKFHBAPS-UHFFFAOYSA-N", "inchikey2D": "QVBJFSJKFHBAPS", "names": [ "4-[11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxypentanoic acid" ], "molecular_formula": "C29H38O9", "smiles": "CC(=O)OC1C(=O)C2=C(C(=O)CC3C(C)(C)C(=O)CCC23C)C2(C)C(=O)CC(C(C)(O)CCC(=O)O)C12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0129996" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XSLKAKROJKMHIT-HBZKPHNJSA-N": { "inchikey": "XSLKAKROJKMHIT-HBZKPHNJSA-N", "inchikey2D": "XSLKAKROJKMHIT", "names": [ "(2r)-2-[(1r,2r,3ar,5ar,7r,9as,11ar)-2,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid", "3α,16α-dihydroxylanosta-7,9(11),24-trien-21-oic acid" ], "molecular_formula": "C30H46O4", "smiles": "CC(C)=CCC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0131556", "npaid": "NPA012173" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "BPJPBLZKOVIJQD-WHZQEJOUSA-N": { "inchikey": "BPJPBLZKOVIJQD-WHZQEJOUSA-N", "inchikey2D": "BPJPBLZKOVIJQD", "names": [ "6-[(1r,3ar,4s,5ar,7s,9as,11s,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganoderic acid G" ], "molecular_formula": "C30H44O8", "smiles": "CC(CC(=O)CC(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0107012", "npaid": "NPA009232" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NAETYGPWGSNZTO-VBZINLSISA-N": { "inchikey": "NAETYGPWGSNZTO-VBZINLSISA-N", "inchikey2D": "NAETYGPWGSNZTO", "names": [ "(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2s,5s,6s)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione" ], "molecular_formula": "C30H48O5", "smiles": "C[C@@H](CC[C@H](O)[C@@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0204916" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PQDHZHNZOGGMSA-NGFGKOHJSA-N": { "inchikey": "PQDHZHNZOGGMSA-NGFGKOHJSA-N", "inchikey2D": "PQDHZHNZOGGMSA", "names": [ "methyl (4r)-4-[(1r,3s,3ar,4r,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C28H44O6", "smiles": "COC(=O)CC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0192078" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OITSMBXSRGHZRF-WIBPKFNESA-N": { "inchikey": "OITSMBXSRGHZRF-WIBPKFNESA-N", "inchikey2D": "OITSMBXSRGHZRF", "names": [ "(±)-cochlearin D", "2-[(4z)-4-[(3e)-4,8-dimethylnona-3,7-dien-1-ylidene]oxolan-2-yl]benzene-1,4-diol" ], "molecular_formula": "C21H28O3", "smiles": "CC(C)=CCC/C(C)=C/C/C=C1\\COC(c2cc(O)ccc2O)C1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0209534", "npaid": "NPA028159" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "GEKHMMSACYDGPN-UHFFFAOYSA-N": { "inchikey": "GEKHMMSACYDGPN-UHFFFAOYSA-N", "inchikey2D": "GEKHMMSACYDGPN", "names": [ "butyl 4-[11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C33H48O8", "smiles": "CCCCOC(=O)CCC(C)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0122385" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WJJMXGMVRMDYBU-UVKILWEPSA-N": { "inchikey": "WJJMXGMVRMDYBU-UVKILWEPSA-N", "inchikey2D": "WJJMXGMVRMDYBU", "names": [ "(2s)-2-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]propanoic acid", "Ganodernoid B" ], "molecular_formula": "C25H34O6", "smiles": "C[C@H](C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0078769", "npaid": "NPA007208" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XRBLVCACUHPHDE-UHFFFAOYSA-N": { "inchikey": "XRBLVCACUHPHDE-UHFFFAOYSA-N", "inchikey2D": "XRBLVCACUHPHDE", "names": [ "6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O5", "smiles": "CC(=CCCC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0131462" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YCXUCEXEMJPDRZ-NMLPFVMGSA-N": { "inchikey": "YCXUCEXEMJPDRZ-NMLPFVMGSA-N", "inchikey2D": "YCXUCEXEMJPDRZ", "names": [ "(2r,6r)-6-[(1r,3as,5as,7s,9as,11s,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H44O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@@]2(C)C(=O)C[C@H]([C@H](C)CC(=O)C[C@@H](C)C(=O)O)[C@@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0193378" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JOFJXWXVPFAZPK-XULWGOJYSA-N": { "inchikey": "JOFJXWXVPFAZPK-XULWGOJYSA-N", "inchikey2D": "JOFJXWXVPFAZPK", "names": [ "methyl (4r)-4-[(1r,3ar,5ar,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C30H40O8", "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0080286" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NIMMHBASIZOWOI-UHFFFAOYSA-N": { "inchikey": "NIMMHBASIZOWOI-UHFFFAOYSA-N", "inchikey2D": "NIMMHBASIZOWOI", "names": [ "4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]pentanoic acid" ], "molecular_formula": "C28H42O6", "smiles": "C=C(C)C1CC(O)C2=C(C(=O)CC3(C)C(C(C)CCC(=O)O)CCC23C)C1(C)CCC(=O)OC", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0192213" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "RDMQPKIDHAFXKA-BDKDGZAGSA-N": { "inchikey": "RDMQPKIDHAFXKA-BDKDGZAGSA-N", "inchikey2D": "RDMQPKIDHAFXKA", "names": [ "(2s,6s)-6-[(1r,3ar,5as,7s,9ar,11as)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O7", "smiles": "C[C@@H](CC(=O)C[C@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0107165" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FGUBEKCWBCCEIB-LVYWFHBJSA-N": { "inchikey": "FGUBEKCWBCCEIB-LVYWFHBJSA-N", "inchikey2D": "FGUBEKCWBCCEIB", "names": [ "(5z)-6-[(1r,3r,5r,10s,14r,15r,17r,18s)-17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O7", "smiles": "C/C(=C/C(=O)CC(C)C(=O)O)[C@H]1C[C@@H](O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0063250" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "DBCOZDMIVDWFEY-OROJTPHBSA-N": { "inchikey": "DBCOZDMIVDWFEY-OROJTPHBSA-N", "inchikey2D": "DBCOZDMIVDWFEY", "names": [ "(1r,3r,5r,10s,14r,15r,17s,18s)-17-hydroxy-6,6,10,14,18-pentamethyl-15-[(1e)-1-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]prop-1-en-2-yl]-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-ene-7,13-dione", "Gibbosicolid A" ], "molecular_formula": "C30H40O6", "smiles": "C/C(=C\\[C@@H]1C[C@H](C)C(=O)O1)[C@H]1C[C@H](O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0064297", "npaid": "NPA025430" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "PLGMDEYIMRPUAI-UHFFFAOYSA-N": { "inchikey": "PLGMDEYIMRPUAI-UHFFFAOYSA-N", "inchikey2D": "PLGMDEYIMRPUAI", "names": [ "2-(2,5-dihydroxybenzoyl)-3-(3-oxoprop-1-en-2-yl)cyclopentane-1-carboxylic acid" ], "molecular_formula": "C16H16O6", "smiles": "C=C(C=O)C1CCC(C(=O)O)C1C(=O)c1cc(O)ccc1O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0039750" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "LVGCWXNRZNCAJG-CRCMIFTESA-N": { "inchikey": "LVGCWXNRZNCAJG-CRCMIFTESA-N", "inchikey2D": "LVGCWXNRZNCAJG", "names": [ "(1r,3ar,5ar,9as,11ar)-1-[(2s,5s)-5,6-dihydroxy-6-methylheptan-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione" ], "molecular_formula": "C30H48O4", "smiles": "C[C@@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0076651" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GFKYVWHGNWCEQF-XZZFVBANSA-N": { "inchikey": "GFKYVWHGNWCEQF-XZZFVBANSA-N", "inchikey2D": "GFKYVWHGNWCEQF", "names": [ "(5e)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O7", "smiles": "C/C(=C\\C(=O)CC(C)C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0219181" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "FDBSAJLAFMYDGR-UHFFFAOYSA-N": { "inchikey": "FDBSAJLAFMYDGR-UHFFFAOYSA-N", "inchikey2D": "FDBSAJLAFMYDGR", "names": [ 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"INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "ZLVLCRKVGRDRDF-MMFCOEIZSA-N": { "inchikey": "ZLVLCRKVGRDRDF-MMFCOEIZSA-N", "inchikey2D": "ZLVLCRKVGRDRDF", "names": [ "(2s,3ar,5as,9as,9br,11ar)-2-[(2s,3e,5s)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C28H44O", "smiles": "CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1C[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0064908" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "GYRZOSZQWPIJBT-ZPYYFHDTSA-N": { "inchikey": "GYRZOSZQWPIJBT-ZPYYFHDTSA-N", "inchikey2D": "GYRZOSZQWPIJBT", "names": [ "(2s,4r,5e)-6-[(1s,3as,4r,5as,9ar,11as)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-5-enoic acid" ], "molecular_formula": "C30H42O7", "smiles": "C/C(=C\\[C@H](O)C[C@H](C)C(=O)O)[C@@H]1CC(=O)[C@]2(C)C3=C(C(=O)C[C@@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0137464" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "FYCIBTJXTGWCRP-WJPDYIDTSA-N": { "inchikey": "FYCIBTJXTGWCRP-WJPDYIDTSA-N", "inchikey2D": "FYCIBTJXTGWCRP", "names": [ "6-[(1e,3e)-penta-1,3-dien-1-yl]pyran-2-one", "Dayaolingzhilactone B" ], "molecular_formula": "C10H10O2", "smiles": "C/C=C/C=C/c1cccc(=O)o1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], 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"(2r,3s,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-1,2-dihydroxy-2-methylheptan-3-yl (2z,5e,9e)-2-[2-(2,5-dihydroxyphenyl)ethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoate" ], "molecular_formula": "C51H74O8", "smiles": "C/C(=C\\CC/C(C)=C/CC/C(=C/Cc1cc(O)ccc1O)C(=O)O[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)[C@](C)(O)CO)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0190959" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "IFIKIFMCHAMBFO-UHFFFAOYSA-N": { "inchikey": "IFIKIFMCHAMBFO-UHFFFAOYSA-N", "inchikey2D": "IFIKIFMCHAMBFO", "names": [ "2-methyl-4-oxo-6-{6,6,10,14,18-pentamethyl-7,13,17-trioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}hept-5-enoic acid" ], "molecular_formula": "C30H38O7", "smiles": "CC(=CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C1(C)C(=O)C=C1C3(C)CCC(=O)C(C)(C)C3CC3OC132", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0216252" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "RTQWQWAJAUQCJI-UHFFFAOYSA-N": { "inchikey": "RTQWQWAJAUQCJI-UHFFFAOYSA-N", "inchikey2D": "RTQWQWAJAUQCJI", "names": [ "5-hydroxy-15-(4-hydroxy-5,6-dimethylheptan-2-yl)-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-1(11)-en-10-one" ], "molecular_formula": "C28H44O4", "smiles": "CC(C)C(C)C(O)CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)CC12OC2C3=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0057941" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, 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"external_ids": { "lotus_id": "LTS0138053", "npaid": "NPA026911" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "WDHSPNBFMNVXFL-UHFFFAOYSA-N": { "inchikey": "WDHSPNBFMNVXFL-UHFFFAOYSA-N", "inchikey2D": "WDHSPNBFMNVXFL", "names": [ "1-(7-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl formate" ], "molecular_formula": "C31H48O4", "smiles": "CC(=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC=O)C(C)(C)C1CC3=O)CO", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0065760" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "LVBXEMGDVWVTGY-VOTSOKGWSA-N": { "inchikey": "LVBXEMGDVWVTGY-VOTSOKGWSA-N", "inchikey2D": "LVBXEMGDVWVTGY", "names": [ "(e)-2-octenal" ], "molecular_formula": "C8H14O", "smiles": "CCCCC/C=C/C=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0136829" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SXPHWVWHKNUWLH-UWJYBYFXSA-N": { "inchikey": "SXPHWVWHKNUWLH-UWJYBYFXSA-N", "inchikey2D": "SXPHWVWHKNUWLH", "names": [ "(-)-applanatumol Z", "methyl (1s,2s,3s)-2-(2,5-dihydroxybenzoyl)-3-hydroxycyclopentane-1-carboxylate" ], "molecular_formula": "C14H16O6", "smiles": "COC(=O)[C@H]1CC[C@H](O)[C@H]1C(=O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0067559", "npaid": "NPA003862" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "BHPUPTSWPKUFML-CQLWNEOYSA-N": { "inchikey": "BHPUPTSWPKUFML-CQLWNEOYSA-N", "inchikey2D": "BHPUPTSWPKUFML", "names": [ "(2e,4r,6r)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H46O4", "smiles": "C/C(=C\\[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0207661" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DSPRCJFPUNBSJW-WOJBJXKFSA-N": { "inchikey": "DSPRCJFPUNBSJW-WOJBJXKFSA-N", "inchikey2D": "DSPRCJFPUNBSJW", "names": [ "(1r,5r)-10-hydroxy-5-methyl-2-(propan-2-ylidene)-6-oxatetracyclo[11.4.0.0¹,⁵.0⁷,¹²]heptadeca-7,9,11,13-tetraen-15-one", "Ganocin C" ], "molecular_formula": "C20H22O3", "smiles": "CC(C)=C1CC[C@@]2(C)Oc3ccc(O)cc3C3=CC(=O)CC[C@]312", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0203865", "npaid": "NPA008935" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "VPMBQAULVONHEM-VNQPRFMTSA-N": { "inchikey": "VPMBQAULVONHEM-VNQPRFMTSA-N", "inchikey2D": "VPMBQAULVONHEM", "names": [ "(+)-applanatumol H", "(3as,4r,6ar)-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-3a-(hydroxymethyl)-tetrahydrocyclopenta[c]furan-1-one" ], "molecular_formula": "C16H18O7", "smiles": "O=C(C[C@]12CC[C@@H](O)[C@@]1(CO)COC2=O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0122839", "npaid": "NPA017071" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "KASALCUNLBTNAA-VIKWRQSJSA-N": { "inchikey": "KASALCUNLBTNAA-VIKWRQSJSA-N", "inchikey2D": "KASALCUNLBTNAA", "names": [ "(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2r,5s)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one", "Ganodermanontriol" ], "molecular_formula": "C30H48O4", "smiles": "C[C@H](CC[C@H](O)C(C)(O)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0112155", "npaid": "NPA004960" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PKHFZHSYUYWRMN-UHFFFAOYSA-N": { "inchikey": "PKHFZHSYUYWRMN-UHFFFAOYSA-N", "inchikey2D": "PKHFZHSYUYWRMN", "names": [ "{7,7,12,16-tetramethyl-15-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-1(11)-en-2-yl}methyl acetate" ], "molecular_formula": "C32H46O6", "smiles": "CC(=O)OCC12CCC(=O)OC(C)(C)C1CCC1=C2CCC2(C)C(C(C)C3CC=C(C)C(=O)O3)CCC12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0206633" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "PRJBNEAPLDQWLQ-UBSXCYLOSA-N": { "inchikey": "PRJBNEAPLDQWLQ-UBSXCYLOSA-N", "inchikey2D": "PRJBNEAPLDQWLQ", "names": [ "(2e,6r)-6-[(3ar,7s)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H42O7", "smiles": "C/C(=C\\C(O)C[C@@H](C)C1CC(=O)[C@@]2(C)C3=C(C(=O)CC12C)C1(C)CC[C@H](O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0038348" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LULWEHRQZGLNFK-SOPBJWMHSA-N": { "inchikey": "LULWEHRQZGLNFK-SOPBJWMHSA-N", "inchikey2D": "LULWEHRQZGLNFK", "names": [ "(2r,6r)-6-[(1r,3s,3ar,4s,5ar,6r,9as,11ar)-3,4-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganoleucoin R" ], "molecular_formula": "C30H44O8", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0104768", "npaid": "NPA027844" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "GHQBLEWBYHWXAC-XBWKSOOMSA-N": { "inchikey": "GHQBLEWBYHWXAC-XBWKSOOMSA-N", "inchikey2D": "GHQBLEWBYHWXAC", "names": [ "(2e,5r,6r)-6-[(1r,3s,3ar,4r,5ar,7r,9ar,11as)-4,7-bis(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C36H54O9", "smiles": "CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@@]2(C)C2=C1[C@]1(C)[C@@H](O)C[C@H]([C@@H](C)[C@@H](C/C=C(\\C)C(=O)O)OC(C)=O)[C@]1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0124055" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NEYFZTSOEPMHGQ-YSROOBRHSA-N": { "inchikey": "NEYFZTSOEPMHGQ-YSROOBRHSA-N", "inchikey2D": "NEYFZTSOEPMHGQ", "names": [ "(1s,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2s)-2-methyl-5-oxooxolan-2-yl]-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-3,7,10-trione" ], "molecular_formula": "C27H36O6", "smiles": "CC1(C)C(=O)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)C(=O)C[C@H]([C@]2(C)CCC(=O)O2)[C@@]1(C)CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0124517" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YNHPWMXJGUOPOK-UHFFFAOYSA-N": { "inchikey": "YNHPWMXJGUOPOK-UHFFFAOYSA-N", "inchikey2D": "YNHPWMXJGUOPOK", "names": [ "4a,7-dihydroxy-3-(1-hydroxypropan-2-yl)-1,2,3,9a-tetrahydroxanthene-4,9-dione" ], "molecular_formula": "C16H18O6", "smiles": "CC(CO)C1CCC2C(=O)c3cc(O)ccc3OC2(O)C1=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0175958" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "AJULRUMEMZKBQI-YZISURJTSA-N": { "inchikey": "AJULRUMEMZKBQI-YZISURJTSA-N", "inchikey2D": "AJULRUMEMZKBQI", "names": [ "(1s,3ar,4s,5ar,9as,11ar)-1-acetyl-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-3,7,10-trione" ], "molecular_formula": "C24H32O5", "smiles": "CC(=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0034784" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RRZCIJOEXYRBDW-UHFFFAOYSA-N": { "inchikey": "RRZCIJOEXYRBDW-UHFFFAOYSA-N", "inchikey2D": "RRZCIJOEXYRBDW", "names": [ 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"[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0074004" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VIJFMPKZZDWKGZ-FBIZOPLVSA-N": { "inchikey": "VIJFMPKZZDWKGZ-FBIZOPLVSA-N", "inchikey2D": "VIJFMPKZZDWKGZ", "names": [ "(4ar,6r)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-(2-hydroxypropan-2-yl)-8a-methyl-hexahydropyrano[3,2-b]pyran-2-carboxylic acid" ], "molecular_formula": "C21H28O8", "smiles": "CC(C)(O)[C@H]1CCC2(C)OC(CC(=O)c3cc(O)ccc3O)(C(=O)O)CC[C@H]2O1", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0192297" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "XXXRQJARRNNBRC-LICDEGENSA-N": { "inchikey": "XXXRQJARRNNBRC-LICDEGENSA-N", "inchikey2D": "XXXRQJARRNNBRC", "names": [ "(3as,3br,5ar,7s,9ar,9bs,11r)-7-hydroxy-3a,6,6,9a-tetramethyl-1-[(2r)-6-methylhept-5-en-2-yl]-2h,3h,3bh,4h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-11-carboxylic acid" ], "molecular_formula": "C30H48O3", "smiles": "CC(C)=CCC[C@@H](C)C1=C2[C@H](C(=O)O)C[C@H]3[C@@H](CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@]2(C)CC1", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0137640" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "CRCPKXOHOXZGDW-YVEFUNNKSA-N": { "inchikey": "CRCPKXOHOXZGDW-YVEFUNNKSA-N", "inchikey2D": "CRCPKXOHOXZGDW", "names": [ "(2r,7'r)-5-hydroxy-7'-(methoxycarbonyl)-3-oxospiro[1-benzofuran-2,1'-cycloheptan]-3'-ene-3'-carboxylic acid", "Spiroapplanatumine D" ], "molecular_formula": "C17H16O7", "smiles": "COC(=O)[C@@H]1CCC=C(C(=O)O)C[C@@]12Oc1ccc(O)cc1C2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0202275", "npaid": "NPA022135" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "SZIOXIYBQOPKLK-QHWOOOGRSA-N": { "inchikey": "SZIOXIYBQOPKLK-QHWOOOGRSA-N", "inchikey2D": "SZIOXIYBQOPKLK", "names": [ "(1r,3ar,5as,7s,9as,11ar)-1-[(2r)-1-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C30H48O2", "smiles": "CC(C)=CCC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0124161" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "ILWGYCPOMYIMNG-PCXRWZPLSA-N": { "inchikey": "ILWGYCPOMYIMNG-PCXRWZPLSA-N", "inchikey2D": "ILWGYCPOMYIMNG", "names": [ "(1r,3ar,5as,7s,9as,9bs,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-3a,7,9b-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-5-one", "(22E,24R)-ergosta-7,22-dien-3β,9α,14β-trihydroxyl-6-one" ], "molecular_formula": "C28H44O4", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@]2(O)C3=CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0105192", "npaid": "NPA025985" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "RHUOPMPJXWNRKL-UHFFFAOYSA-N": { "inchikey": "RHUOPMPJXWNRKL-UHFFFAOYSA-N", "inchikey2D": "RHUOPMPJXWNRKL", "names": [ "4-{3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-4-hydroxypentanoic acid" ], "molecular_formula": "C27H36O7", "smiles": "CC(O)(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0060750" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QDYKZRXXERLQAX-CBKWXKALSA-N": { "inchikey": "QDYKZRXXERLQAX-CBKWXKALSA-N", "inchikey2D": "QDYKZRXXERLQAX", "names": [ "(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-1-[(2r)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-7,10-dione", "Ganoleuconin G" ], "molecular_formula": "C30H46O5", "smiles": "C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0109853", "npaid": "NPA006469" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "WOPTZWYPTVGOEK-UHFFFAOYSA-N": { "inchikey": "WOPTZWYPTVGOEK-UHFFFAOYSA-N", "inchikey2D": "WOPTZWYPTVGOEK", "names": [ "2-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C28H48O", "smiles": "CC(C)C(C)C=CC(C)C1CC2C3CCC4CC(O)CCC4(C)C3CCC2(C)C1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0201144" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "HNBGJFRBRDXXKU-MEDUHNTESA-N": { "inchikey": "HNBGJFRBRDXXKU-MEDUHNTESA-N", "inchikey2D": "HNBGJFRBRDXXKU", "names": [ "(2r,7'r)-5-hydroxy-3-oxospiro[1-benzofuran-2,1'-cycloheptan]-3'-ene-3',7'-dicarboxylic acid", "Spiroapplanatumine B" ], "molecular_formula": "C16H14O7", "smiles": "O=C(O)C1=CCC[C@@H](C(=O)O)[C@@]2(C1)Oc1ccc(O)cc1C2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0131970", "npaid": "NPA022133" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "ZTKZZRIVAYGFSF-UHFFFAOYSA-N": { "inchikey": "ZTKZZRIVAYGFSF-UHFFFAOYSA-N", "inchikey2D": "ZTKZZRIVAYGFSF", "names": [ "6-{3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O4", "smiles": "CC(=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0123494" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XOWZEGQXFDYEEB-OWCJGCGPSA-N": { "inchikey": "XOWZEGQXFDYEEB-OWCJGCGPSA-N", "inchikey2D": "XOWZEGQXFDYEEB", "names": [ "(6r)-6-[(3ar,7s,9as,11s,11ar)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Resinacein G" ], "molecular_formula": "C30H40O8", "smiles": "CC(CC(=O)C[C@@H](C)C1=CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0237490", "npaid": "NPA023681" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "UEEGPTLRKRDHLY-WULFLCIASA-N": { "inchikey": "UEEGPTLRKRDHLY-WULFLCIASA-N", "inchikey2D": "UEEGPTLRKRDHLY", "names": [ "methyl (2r,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H48O7", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0122907" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CJKHTLRUBMTPPH-UHFFFAOYSA-N": { "inchikey": "CJKHTLRUBMTPPH-UHFFFAOYSA-N", "inchikey2D": "CJKHTLRUBMTPPH", "names": [ "methyl 5-hydroxy-2'-(1-hydroxypropan-2-yl)-3-oxospiro[1-benzofuran-2,1'-cyclopentane]-5'-carboxylate" ], "molecular_formula": "C17H20O6", "smiles": "COC(=O)C1CCC(C(C)CO)C12Oc1ccc(O)cc1C2=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0133363" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "BELBTILZAXDXSJ-UHFFFAOYSA-N": { "inchikey": "BELBTILZAXDXSJ-UHFFFAOYSA-N", "inchikey2D": "BELBTILZAXDXSJ", "names": [ "1-(7-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-7,10-dione" ], "molecular_formula": "C30H46O3", "smiles": "CC(=CCCC(C)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3)CO", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0194491" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "XXKAPAYWTQDHCB-UHFFFAOYSA-N": { "inchikey": "XXKAPAYWTQDHCB-UHFFFAOYSA-N", "inchikey2D": "XXKAPAYWTQDHCB", "names": [ "6-[7,17-dihydroxy-10-(hydroxymethyl)-6,6,14,18-tetramethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O9", "smiles": "CC(CC(=O)CC(C)(O)C1=CC(O)C2(C)C1(C)C(=O)C=C1C3(CO)CCC(O)C(C)(C)C3CC3OC132)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0066342" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "SFOQBXHAGFVBPZ-UHFFFAOYSA-N": { "inchikey": "SFOQBXHAGFVBPZ-UHFFFAOYSA-N", "inchikey2D": "SFOQBXHAGFVBPZ", "names": [ "7-hydroxy-1-[7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one" ], "molecular_formula": "C30H48O4", "smiles": "CC(CCC=C(CO)CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0137188" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AQUHIKXTCOSRFY-HCCIBRQXSA-N": { "inchikey": "AQUHIKXTCOSRFY-HCCIBRQXSA-N", "inchikey2D": "AQUHIKXTCOSRFY", "names": [ "(2e,6s)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O3", "smiles": "C/C(=C\\CC[C@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0124213" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RERVSJVGWKIGTJ-XZDPZYTHSA-N": { "inchikey": "RERVSJVGWKIGTJ-XZDPZYTHSA-N", "inchikey2D": "RERVSJVGWKIGTJ", "names": [ "(2r,6s)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H46O7", "smiles": "C[C@@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0068026" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WXOJULRVRHWMGT-BDXGFHOYSA-N": { "inchikey": "WXOJULRVRHWMGT-BDXGFHOYSA-N", "inchikey2D": "WXOJULRVRHWMGT", "names": [ "(2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-[(s)-methanesulfinylmethyl]oxolane-3,4-diol" ], "molecular_formula": "C11H15N5O4S", "smiles": "C[S@+]([O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0106728" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RHNFCIPJKSUUES-XYJOMJKUSA-N": { "inchikey": "RHNFCIPJKSUUES-XYJOMJKUSA-N", "inchikey2D": "RHNFCIPJKSUUES", "names": [ "(2e,6s)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enal" ], "molecular_formula": "C30H44O2", "smiles": "C/C(C=O)=C\\CC[C@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0107269" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HOOKULHKMWTXDO-FKGXUHTKSA-N": { "inchikey": "HOOKULHKMWTXDO-FKGXUHTKSA-N", "inchikey2D": "HOOKULHKMWTXDO", "names": [ "(2e,5s,6s)-6-[(1r,3ar,4r,5ar,7r,9as,11ar)-7-hydroxy-4-methoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C33H52O6", "smiles": "CO[C@@H]1C[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)[C@H](C/C=C(\\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0074299" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KFAAQZQGMAHMCD-UHFFFAOYSA-N": { "inchikey": "KFAAQZQGMAHMCD-UHFFFAOYSA-N", "inchikey2D": "KFAAQZQGMAHMCD", "names": [ "6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O6", "smiles": "CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0180328" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "RJBCIJBIKBHZMX-RYPJZMCQSA-N": { "inchikey": "RJBCIJBIKBHZMX-RYPJZMCQSA-N", "inchikey2D": "RJBCIJBIKBHZMX", "names": [ "(2r,3r,4r,5s)-3,4,5-trihydroxyoxan-2-yl (2r,4z)-2-[(1r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylhepta-4,6-dienoate" ], "molecular_formula": "C38H58O8", "smiles": "C=C(C)/C(C)=C\\C[C@@H](C(=O)O[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0134014" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "MGMBZNCFUFRSSP-HNNXBMFYSA-N": { "inchikey": "MGMBZNCFUFRSSP-HNNXBMFYSA-N", "inchikey2D": "MGMBZNCFUFRSSP", "names": [ "(3ar)-1-isopropyl-3a,6-dimethyl-3,4,7,8-tetrahydro-2h-azulene" ], "molecular_formula": "C15H24", "smiles": "CC1=CC[C@@]2(C)CCC(C(C)C)=C2CC1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0125209" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BYMQXXZOAXLVHU-DCSIRACSSA-N": { "inchikey": "BYMQXXZOAXLVHU-DCSIRACSSA-N", "inchikey2D": "BYMQXXZOAXLVHU", "names": [ "3β-hydroxy-12β-acetoxyganodernoid D", "6-[(3ar,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-ylidene]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H42O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)CC(=C(C)CC(=O)CC(C)C(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0109832", "npaid": "NPA001611" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GHTXJUWCAZBSKK-BZDHVDRSSA-N": { "inchikey": "GHTXJUWCAZBSKK-BZDHVDRSSA-N", "inchikey2D": "GHTXJUWCAZBSKK", "names": [ "(17S,23S)-17,23-epoxy-3β,15α-dihydroxy-7,11-dioxo-5α-lanosta-8-en-26,23-olide", "(1s,3s,3'r,3ar,4''r,5's,5ar,7s,9as,11as)-3,7-dihydroxy-3',3a,4'',6,6,9a,11a-heptamethyl-2,3,5,5a,7,8,9,11-octahydrodispiro[cyclopenta[a]phenanthrene-1,2':5',2''-bis(oxolane)]-4,5'',10-trione" ], "molecular_formula": "C30H42O7", "smiles": "C[C@@H]1C[C@]2(C[C@@H](C)[C@]3(C[C@H](O)[C@@]4(C)C5=C(C(=O)C[C@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5=O)O2)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0057965", "npaid": "NPA027921" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "PNXHXPQJFNVWQM-OVCLIPMQSA-N": { "inchikey": "PNXHXPQJFNVWQM-OVCLIPMQSA-N", "inchikey2D": "PNXHXPQJFNVWQM", "names": [ "(5e)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6,10-dimethylundeca-5,9-dienoic acid", "Fornicin C" ], "molecular_formula": "C21H28O5", "smiles": "CC(C)=CCC/C(C)=C/CCC(CC(=O)c1cc(O)ccc1O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0099748", "npaid": "NPA018052" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "AWDXEDPZZFRKNY-UHFFFAOYSA-N": { "inchikey": "AWDXEDPZZFRKNY-UHFFFAOYSA-N", "inchikey2D": "AWDXEDPZZFRKNY", "names": [ "6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,11-dioxo-1h,2h,3h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O6", "smiles": "CC(=CC(=O)CC(C)C(=O)O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CC(=O)C12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0096484" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "MOGCKMACSLYDKK-BQPSBNGHSA-N": { "inchikey": "MOGCKMACSLYDKK-BQPSBNGHSA-N", "inchikey2D": "MOGCKMACSLYDKK", "names": [ "ethyl (6r)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate", "ethyl ganoderate J" ], "molecular_formula": "C32H46O7", "smiles": "CCOC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0137288", "npaid": "NPA003908" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JSTZMWXBGOXHSZ-CGHXCNIISA-N": { "inchikey": "JSTZMWXBGOXHSZ-CGHXCNIISA-N", "inchikey2D": "JSTZMWXBGOXHSZ", "names": [ "Butyl lucidenate N", "butyl lucidenate n" ], "molecular_formula": "C31H48O6", "smiles": "CCCCOC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0079747", "npaid": "NPA005954" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SGBNYANGOPKPRX-UHFFFAOYSA-N": { "inchikey": "SGBNYANGOPKPRX-UHFFFAOYSA-N", "inchikey2D": "SGBNYANGOPKPRX", "names": [ "3a,6,6,9a,11a-pentamethyl-1-(6-oxohept-4-en-2-yl)-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-7,10-dione" ], "molecular_formula": "C29H42O3", "smiles": "CC(=O)C=CCC(C)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0130314" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "RVRNJZAQXDIPCI-JKXZXFKOSA-N": { "inchikey": "RVRNJZAQXDIPCI-JKXZXFKOSA-N", "inchikey2D": "RVRNJZAQXDIPCI", "names": [ "(2e,4s,6r)-6-[(1r,3r,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid", "Hainanic acid B" ], "molecular_formula": "C30H42O7", "smiles": "C/C(=C\\[C@@H](O)C[C@@H](C)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0074704", "npaid": "NPA017067" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "NEYFZTSOEPMHGQ-ZHAVICPQSA-N": { "inchikey": "NEYFZTSOEPMHGQ-ZHAVICPQSA-N", "inchikey2D": "NEYFZTSOEPMHGQ", "names": [ "(1s,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2r)-2-methyl-5-oxooxolan-2-yl]-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-3,7,10-trione" ], "molecular_formula": "C27H36O6", "smiles": "CC1(C)C(=O)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)C(=O)C[C@H]([C@@]2(C)CCC(=O)O2)[C@@]1(C)CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0082373" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BWPIUMPXLQSGGZ-ONNFQVAWSA-N": { "inchikey": "BWPIUMPXLQSGGZ-ONNFQVAWSA-N", "inchikey2D": "BWPIUMPXLQSGGZ", "names": [ "(±)-cochlearol U", "2-hydroxy-6-methyl-6-[(1e)-4-methylpenta-1,3-dien-1-yl]benzo[c]chromene-9-carbaldehyde" ], "molecular_formula": "C21H20O3", "smiles": "CC(C)=C/C=C/C1(C)Oc2ccc(O)cc2-c2cc(C=O)ccc21", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0084313", "npaid": "NPA025935" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "TXSOHFJAYYPXHN-PBASOCQRSA-N": { "inchikey": "TXSOHFJAYYPXHN-PBASOCQRSA-N", "inchikey2D": "TXSOHFJAYYPXHN", "names": [ "(1r,9r,12r,13r)-4-hydroxy-9,18,18-trimethyl-8-oxapentacyclo[10.5.1.0¹,¹³.0²,⁷.0⁹,¹³]octadeca-2,4,6,16-tetraene-16-carbaldehyde", "(−)-cochlearol B" ], "molecular_formula": "C21H24O3", "smiles": "CC1(C)[C@H]2CC[C@@]3(C)Oc4ccc(O)cc4[C@@]14C=C(C=O)CC[C@@]243", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0084183", "npaid": "NPA014750" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "COYTTWFFTMZTSQ-IFRUKKDFSA-N": { "inchikey": "COYTTWFFTMZTSQ-IFRUKKDFSA-N", "inchikey2D": "COYTTWFFTMZTSQ", "names": [ "(-)-cochlearoid Q", "2-{2-[(1s,2r,5r)-10,14-dihydroxy-5-(methoxycarbonyl)-2-(prop-1-en-2-yl)-6,18-dioxapentacyclo[9.7.1.1¹,⁵.0⁷,¹⁹.0¹²,¹⁷]icosa-7(19),8,10,12,14,16-hexaen-16-yl]ethylidene}-6,10-dimethylundeca-5,9-dienoic acid" ], "molecular_formula": "C38H44O8", "smiles": "C=C(C)[C@H]1CC[C@]2(C(=O)OC)C[C@]13Oc1c(CC=C(CCC=C(C)CCC=C(C)C)C(=O)O)cc(O)cc1-c1c(O)ccc(c13)O2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0217685", "npaid": "NPA027952" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "RERVSJVGWKIGTJ-ZGQIITRISA-N": { "inchikey": "RERVSJVGWKIGTJ-ZGQIITRISA-N", "inchikey2D": "RERVSJVGWKIGTJ", "names": [ "(2r,6r)-6-[(1r,3s,3ar,4s,5as,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H46O7", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0084595" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AKWNYHCILPEENZ-UHFFFAOYSA-N": { "inchikey": "AKWNYHCILPEENZ-UHFFFAOYSA-N", "inchikey2D": "AKWNYHCILPEENZ", "names": [ "6-{3a,6,6,9a,11a-pentamethyl-3,4,7,10,11-pentaoxo-1h,2h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H38O8", "smiles": "CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0084158" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LCIUOVOXWPIXOR-HZMDMQKGSA-N": { "inchikey": "LCIUOVOXWPIXOR-HZMDMQKGSA-N", "inchikey2D": "LCIUOVOXWPIXOR", "names": [ "(6s)-6-[(1s,3as,4r,9ar,11r,11as)-4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O8", "smiles": "CC(CC(=O)C[C@H](C)[C@@H]1CC(=O)[C@]2(C)C3=C(C(=O)[C@H](O)[C@@]12C)[C@]1(C)CCC(=O)C(C)(C)C1C[C@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0074859" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZNDCXCGTAALLTP-DKYKKQJNSA-N": { "inchikey": "ZNDCXCGTAALLTP-DKYKKQJNSA-N", "inchikey2D": "ZNDCXCGTAALLTP", "names": [ "(2e,6r)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "7-oxo-ganoderic acid Z" ], "molecular_formula": "C30H46O4", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0074841", "npaid": "NPA001512" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FOKGULQDAMDMHZ-UHFFFAOYSA-N": { "inchikey": "FOKGULQDAMDMHZ-UHFFFAOYSA-N", "inchikey2D": "FOKGULQDAMDMHZ", "names": [ "6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O6", "smiles": "CC(=CC(=O)CC(C)C(=O)O)C1CC(O)C2(C)C3=C(C=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0085862" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "DIEUZIPSDUGWLD-UHFFFAOYSA-N": { "inchikey": "DIEUZIPSDUGWLD-UHFFFAOYSA-N", "inchikey2D": "DIEUZIPSDUGWLD", "names": [ "2-methyl-4-oxo-6-{3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}hept-5-enoic acid" ], "molecular_formula": "C30H44O7", "smiles": "CC(=CC(=O)CC(C)C(=O)O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0060207" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UHEPJGULSIKKTP-UHFFFAOYSA-N": { "inchikey": "UHEPJGULSIKKTP-UHFFFAOYSA-N", "inchikey2D": "UHEPJGULSIKKTP", "names": [ "6-methyl-5-hepten-2-one" ], "molecular_formula": "C8H14O", "smiles": "CC(=O)CCC=C(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Phallus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0241073" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Phallus==Phallus" ] }, "BKXWDIMPBHNMLN-UHFFFAOYSA-N": { "inchikey": "BKXWDIMPBHNMLN-UHFFFAOYSA-N", "inchikey2D": "BKXWDIMPBHNMLN", "names": [ "5-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-11-hydroxy-3,9-dioxatricyclo[6.3.0.0¹,⁵]undecane-4,10-dione" ], "molecular_formula": "C17H16O8", "smiles": "O=C(CC12CCC3OC(=O)C(O)C31COC2=O)c1cc(O)ccc1O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0219368" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "BKIMMITUMNQMOS-UHFFFAOYSA-N": { "inchikey": "BKIMMITUMNQMOS-UHFFFAOYSA-N", "inchikey2D": "BKIMMITUMNQMOS", "names": [ "nonane" ], "molecular_formula": "C9H20", "smiles": "CCCCCCCCC", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0096012" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LIVMTRFKKMBYGG-UHFFFAOYSA-N": { "inchikey": "LIVMTRFKKMBYGG-UHFFFAOYSA-N", "inchikey2D": "LIVMTRFKKMBYGG", "names": [ "3,14-dihydroxy-2,2,6-trimethyl-3,4,5,8,9,12-hexahydro-1-benzoxacyclotetradecine-10-carboxylic acid" ], "molecular_formula": "C21H28O5", "smiles": "CC1=CCCC(C(=O)O)=CCc2cc(O)ccc2OC(C)(C)C(O)CC1", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0132215" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "JASUHFONOXUJSH-SGMLOEEESA-N": { "inchikey": "JASUHFONOXUJSH-SGMLOEEESA-N", "inchikey2D": "JASUHFONOXUJSH", "names": [ "(2r,4s,6r)-6-[(1r,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylheptanoic acid" ], "molecular_formula": "C30H46O7", "smiles": "C[C@H](C[C@@H](O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0081312" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XXKAPAYWTQDHCB-VRYDGNCDSA-N": { "inchikey": "XXKAPAYWTQDHCB-VRYDGNCDSA-N", "inchikey2D": "XXKAPAYWTQDHCB", "names": [ "6-[(1s,3s,7s,10r,14r,17r,18s)-7,17-dihydroxy-10-(hydroxymethyl)-6,6,14,18-tetramethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O9", "smiles": "CC(CC(=O)CC(C)(O)C1=C[C@@H](O)[C@@]2(C)[C@]34O[C@H]3CC3C(C)(C)[C@@H](O)CC[C@]3(CO)C4=CC(=O)[C@]12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0077202" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "UHWQEZRJCQBGPF-YZQBNKEHSA-N": { "inchikey": "UHWQEZRJCQBGPF-YZQBNKEHSA-N", "inchikey2D": "UHWQEZRJCQBGPF", "names": [ "(2e,4e)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-[(2s,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]penta-2,4-dienoic acid", "Cochlearol F" ], "molecular_formula": "C21H26O7", "smiles": "CC(C)(O)[C@@H]1CC[C@@](C)(/C=C/C=C(\\CC(=O)c2cc(O)ccc2O)C(=O)O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0215246", "npaid": "NPA026907" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "HNNFEKOVKSPWLT-QGZVFWFLSA-N": { "inchikey": "HNNFEKOVKSPWLT-QGZVFWFLSA-N", "inchikey2D": "HNNFEKOVKSPWLT", "names": [ "1-[(2r)-2-(4-acetyl-3-hydroxyphenoxy)-4-hydroxy-2,3-dihydro-1-benzofuran-5-yl]ethanone" ], "molecular_formula": "C18H16O6", "smiles": "CC(=O)c1ccc(O[C@H]2Cc3c(ccc(C(C)=O)c3O)O2)cc1O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ 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"species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0123846", "npaid": "NPA024291" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "PRJBNEAPLDQWLQ-AVCLMWMBSA-N": { "inchikey": "PRJBNEAPLDQWLQ-AVCLMWMBSA-N", "inchikey2D": "PRJBNEAPLDQWLQ", "names": [ "(2e,4s,6r)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid", "Ganoderic acid ζ" ], "molecular_formula": "C30H42O7", "smiles": "C/C(=C\\[C@@H](O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0080092", "npaid": "NPA012995" }, 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(6r)-6-[(1r,3s,3ar,7s,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H48O7", "smiles": "COC(=O)C(C)C(O)C(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0202803", "npaid": "NPA023692" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "FWDQERNWSKUHAW-UHFFFAOYSA-N": { "inchikey": "FWDQERNWSKUHAW-UHFFFAOYSA-N", "inchikey2D": "FWDQERNWSKUHAW", "names": [ "6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-ylidene}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H40O7", "smiles": "CC(CC(=O)CC(C)C(=O)O)=C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0070488" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ALBRPHJUQRKZLQ-DJKKODMXSA-N": { "inchikey": "ALBRPHJUQRKZLQ-DJKKODMXSA-N", "inchikey2D": "ALBRPHJUQRKZLQ", "names": [ "(2e)-6-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enal" ], "molecular_formula": "C30H46O3", "smiles": "C/C(C=O)=C\\CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0072591" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VOBDLFOMWLMXRY-NTFNSIDBSA-N": { "inchikey": "VOBDLFOMWLMXRY-NTFNSIDBSA-N", "inchikey2D": "VOBDLFOMWLMXRY", "names": [ "(-)-applanatumol R", "(2s,5s)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(1-hydroxypropan-2-yl)oxolane-2-carboxylic acid" ], "molecular_formula": "C16H20O7", "smiles": "CC(CO)[C@@H]1CC[C@](CC(=O)c2cc(O)ccc2O)(C(=O)O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0062952", "npaid": "NPA013022" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "ALBCWJCDEWHIEL-RAEJBKIPSA-N": { "inchikey": "ALBCWJCDEWHIEL-RAEJBKIPSA-N", "inchikey2D": "ALBCWJCDEWHIEL", "names": [ "(-)-ganoapplanin", "(1'r,2s,5'r,6's,12'r)-7,12',14-trihydroxy-5'-methoxy-3,4',8',10-tetraoxaspiro[tetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-2,3'-tricyclo[4.3.3.0¹,⁶]dodecane]-1(14),4,6,8(16),11(15),12-hexaene-9,9'-dione" ], "molecular_formula": "C24H20O10", "smiles": "CO[C@@H]1O[C@]2(C[C@]34CC[C@@H](O)[C@]13COC4=O)Oc1ccc(O)c3c(=O)oc4ccc(O)c2c4c13", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0093732", "npaid": "NPA018658" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "DGLHQRMXGDBMDN-UHFFFAOYSA-N": { "inchikey": "DGLHQRMXGDBMDN-UHFFFAOYSA-N", "inchikey2D": "DGLHQRMXGDBMDN", "names": [ "5-hydroxy-5'-(3-{[5-hydroxy-2'-(3-hydroxyprop-1-en-2-yl)-3-oxospiro[1-benzofuran-2,1'-cyclopentan]-5'-yl]carbonyloxy}prop-1-en-2-yl)-3-oxospiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylic acid" ], "molecular_formula": "C32H30O11", "smiles": "C=C(COC(=O)C1CCC(C(=C)CO)C12Oc1ccc(O)cc1C2=O)C1CCC(C(=O)O)C12Oc1ccc(O)cc1C2=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0236366" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "QLZRVDOOUFSGBH-UHFFFAOYSA-N": { "inchikey": "QLZRVDOOUFSGBH-UHFFFAOYSA-N", "inchikey2D": "QLZRVDOOUFSGBH", "names": [ "1-[7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthrene-3,7-diol" ], "molecular_formula": "C30H48O4", "smiles": "CC(CCC=C(CO)CO)C1CC(O)C2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0083111" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "QGNJGKWIOMQCST-BESWQEFHSA-N": { "inchikey": "QGNJGKWIOMQCST-BESWQEFHSA-N", "inchikey2D": "QGNJGKWIOMQCST", "names": [ "(1r,3as,5r,5ar,7s,9ar,9bs,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,5h,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-3a,5,5a,7,9b-pentol", "22E, 24R-ergosta-7,22-diene-3β,5α,6β,9α,14α-pentol" ], "molecular_formula": "C28H46O5", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(O)C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0071702", "npaid": "NPA009036" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ABKXMOHJGSXLHK-UHFFFAOYSA-N": { "inchikey": "ABKXMOHJGSXLHK-UHFFFAOYSA-N", "inchikey2D": "ABKXMOHJGSXLHK", "names": [ "6-{3a,6,6,9a,11a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl}-3-methylheptan-2-one" ], "molecular_formula": "C30H52O", "smiles": "CC(=O)C(C)CCC(C)C1CCC2(C)C3CCC4C(C)(C)CCCC4(C)C3CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0091305" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "DOGNEMJACWRRLK-NDENLUEZSA-N": { "inchikey": "DOGNEMJACWRRLK-NDENLUEZSA-N", "inchikey2D": "DOGNEMJACWRRLK", "names": [ "(2z)-6-[7-(acetyloxy)-3-hydroxy-4-methoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C33H52O6", "smiles": "COC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)C(O)CC(C(C)CC/C=C(/C)C(=O)O)C1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0071993" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FMEOHNKBCMQEEH-GHBIOIDSSA-N": { "inchikey": "FMEOHNKBCMQEEH-GHBIOIDSSA-N", "inchikey2D": "FMEOHNKBCMQEEH", "names": [ "(1r,3ar,5r,5as,7s,9ar,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,6h,7h,8h,9h,11h-cyclopenta[a]phenanthrene-5,5a,7-triol", "(22E,24R)-ergosta-7,9(11),22-trien-3β,5β,6β-triol" ], "molecular_formula": "C28H44O3", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@]4(O)C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0075955", "npaid": "NPA025980" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "UNPWGTFHYAENLH-UHFFFAOYSA-N": { "inchikey": "UNPWGTFHYAENLH-UHFFFAOYSA-N", "inchikey2D": "UNPWGTFHYAENLH", "names": [ "methyl 4-[7,11-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C28H40O8", "smiles": "COC(=O)CCC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0081726" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RERVSJVGWKIGTJ-RQLZKMEDSA-N": { "inchikey": "RERVSJVGWKIGTJ-RQLZKMEDSA-N", "inchikey2D": "RERVSJVGWKIGTJ", "names": [ "(2r,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganoderic acid C2" ], "molecular_formula": "C30H46O7", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0103176", "npaid": "NPA014576" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LTJSBYAKDOGXLX-BSXWHFBYSA-N": { "inchikey": "LTJSBYAKDOGXLX-BSXWHFBYSA-N", "inchikey2D": "LTJSBYAKDOGXLX", "names": [ "(4s)-4-[(1r,3ar,5ar,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C29H38O8", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@@H](C)CCC(=O)O)[C@@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0075103" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OUVYMXFMCMMQQV-LMCBDTJISA-N": { "inchikey": "OUVYMXFMCMMQQV-LMCBDTJISA-N", "inchikey2D": "OUVYMXFMCMMQQV", "names": [ "(2s)-3-{4-[(1s,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]furan-2-yl}-2-methylpropanoic acid" ], "molecular_formula": "C30H38O7", "smiles": "C[C@@H](Cc1cc([C@H]2C[C@H](O)[C@@]3(C)C4=C(C(=O)C[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4=O)co1)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0082001" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "ISCJOZQAUKSCCU-YSCGSIFPSA-N": { "inchikey": "ISCJOZQAUKSCCU-YSCGSIFPSA-N", "inchikey2D": "ISCJOZQAUKSCCU", "names": [ "methyl (2r,6r)-6-[(1r,3s,3as,3br,5ar,9as,9bs,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-decahydrocyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate", "methyl 8β,9α-dihydroganoderate J" ], "molecular_formula": "C31H46O7", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)[C@@H]3C(=O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0232621", "npaid": "NPA001974" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ARXHRTZAVQOQEU-PHZYAEJDSA-N": { "inchikey": "ARXHRTZAVQOQEU-PHZYAEJDSA-N", "inchikey2D": "ARXHRTZAVQOQEU", "names": [ "(1r,3ar,5r,5ar,7s,9ar,9bs,11ar)-1-[(2r,3e)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,5a,7-triol", "Cerevisterol" ], "molecular_formula": "C28H46O3", "smiles": "CC(C)C(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0053750", "npaid": "NPA018187" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "AOXXVRDKZLRGTJ-GJCSLOPBSA-N": { "inchikey": "AOXXVRDKZLRGTJ-GJCSLOPBSA-N", "inchikey2D": "AOXXVRDKZLRGTJ", "names": [ "(1r,3ar,5ar,7s,9as,11ar)-1-[(2r,5z)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol", "(24Z)-3β,27-dihydroxylanosta-7,9(11),24-triene" ], "molecular_formula": "C30H48O2", "smiles": "C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0214741", "npaid": "NPA027733" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "AQUHIKXTCOSRFY-QREPNUMGSA-N": { "inchikey": "AQUHIKXTCOSRFY-QREPNUMGSA-N", "inchikey2D": "AQUHIKXTCOSRFY", "names": [ "6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O3", "smiles": "CC(=CCCC(C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0075781" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ICIQEEKXLSGEHH-LXIBBUSFSA-N": { "inchikey": "ICIQEEKXLSGEHH-LXIBBUSFSA-N", "inchikey2D": "ICIQEEKXLSGEHH", "names": [ "methyl (2r,6r)-6-[(1r,3ar,5ar,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C33H44O9", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0208665" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WCPRSKXCWMBEHO-DLDLXSDHSA-N": { "inchikey": "WCPRSKXCWMBEHO-DLDLXSDHSA-N", "inchikey2D": "WCPRSKXCWMBEHO", "names": [ "(2e,4s,6r)-6-[(1r,3ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid", "Hainanic acid A" ], "molecular_formula": "C30H44O5", "smiles": "C/C(=C\\[C@@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0082650", "npaid": "NPA008434" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "JFCYOZDABVWLAB-OGJFIDDRSA-N": { "inchikey": "JFCYOZDABVWLAB-OGJFIDDRSA-N", "inchikey2D": "JFCYOZDABVWLAB", "names": [ "20-hydroxy-3,12,15,23-tetraoxolanosta-7,9(11),16-trien-26-oic acid", "6-[(3as,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,7,11-trioxo-5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H38O7", "smiles": "CC(CC(=O)CC(C)(O)C1=CC(=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC(=O)[C@]12C)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0087686", "npaid": "NPA024573" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "DHGMYNLRIYMOGS-UHFFFAOYSA-N": { "inchikey": "DHGMYNLRIYMOGS-UHFFFAOYSA-N", "inchikey2D": "DHGMYNLRIYMOGS", "names": [ "1-{4-[3-(hydroxymethyl)-3-methyloxiran-2-yl]butan-2-yl}-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione" ], "molecular_formula": "C30H46O4", "smiles": "CC(CCC1OC1(C)CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0075976" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "ULDHMXUKGWMISQ-SECBINFHSA-N": { "inchikey": "ULDHMXUKGWMISQ-SECBINFHSA-N", "inchikey2D": "ULDHMXUKGWMISQ", "names": [ "(-)-carvone", "(R)-(-)-Carvone" ], "molecular_formula": "C10H14O", "smiles": "C=C(C)[C@@H]1CC=C(C)C(=O)C1", "species": [ "Ganoderma lucidum", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "KNApSAcK", "LOTUS" ], "external_ids": { "lotus_id": "LTS0223461", "knapsack_cid": "C00000807" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LIJZGBVDQCTWLG-UZQZWLGQSA-N": { "inchikey": "LIJZGBVDQCTWLG-UZQZWLGQSA-N", "inchikey2D": "LIJZGBVDQCTWLG", "names": [ "2-[(4r)-4-[(1r,3ar,5as,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentylidene]propane-1,3-diol" ], "molecular_formula": "C30H48O3", "smiles": "C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0127303" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NBPAZLNDCXUMSM-JXWNWQQLSA-N": { "inchikey": "NBPAZLNDCXUMSM-JXWNWQQLSA-N", "inchikey2D": "NBPAZLNDCXUMSM", "names": [ "(1r,3ar,4r,5ar,9as,11ar)-4-ethoxy-3a,6,6,9a,11a-pentamethyl-1-[(2r,5s,6s)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C32H54O5", "smiles": "CCO[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)CC[C@H](O)[C@@](C)(O)CO)[C@@]1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0191722" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PLCLICIRIHEOIB-UHFFFAOYSA-N": { "inchikey": "PLCLICIRIHEOIB-UHFFFAOYSA-N", "inchikey2D": "PLCLICIRIHEOIB", "names": [ "methyl 6-{3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H42O7", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0072107" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CFBBUWFXWSYJHB-UHFFFAOYSA-N": { "inchikey": "CFBBUWFXWSYJHB-UHFFFAOYSA-N", "inchikey2D": "CFBBUWFXWSYJHB", "names": [ "6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enal" ], "molecular_formula": "C30H46O3", "smiles": "CC(C=O)=CCCC(C)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0198526" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OEHYQHPDUCRLMW-HZTHLXBPSA-N": { "inchikey": "OEHYQHPDUCRLMW-HZTHLXBPSA-N", "inchikey2D": "OEHYQHPDUCRLMW", "names": [ "(2r,6s)-6-[(1s,3ar,4s,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H46O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C([C@@H](O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@@H]([C@@H](C)CC(=O)C[C@@H](C)C(=O)O)[C@@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0072554" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DBBIGSFTALEARQ-ZZGYNKHGSA-N": { "inchikey": "DBBIGSFTALEARQ-ZZGYNKHGSA-N", "inchikey2D": "DBBIGSFTALEARQ", "names": [ "3-[(1s,5s,6s,10r,13s,14r)-5,10,14-trimethyl-3,8-dioxo-14-(3-oxopentyl)-6-(prop-1-en-2-yl)-15-oxatetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadec-4(9)-en-5-yl]propanoic acid", "Ganoboninone G" ], "molecular_formula": "C29H40O6", "smiles": "C=C(C)[C@@H]1CC(=O)C2=C(C(=O)C[C@]34CO[C@](C)(CCC(=O)CC)[C@H]3CC[C@@]24C)[C@@]1(C)CCC(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0077068", "npaid": "NPA027736" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "XVBWIRYDRDXAIY-SKHDNZKESA-N": { "inchikey": "XVBWIRYDRDXAIY-SKHDNZKESA-N", "inchikey2D": "XVBWIRYDRDXAIY", "names": [ "(1r,3as,3bs,5s,5ar,7s,9ar,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-3a,3b,5,5a,7-pentahydroxy-9a,11a-dimethyl-decahydro-1h-cyclopenta[a]phenanthren-4-one", "3β,5α,6β,8β,14α-pentahydroxy-(22E,24R)-ergost-22-en-7-one" ], "molecular_formula": "C28H46O6", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(O)[C@]3(O)C(=O)[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)C3CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0093192", "npaid": "NPA018529" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "LVYOXPQJURJWPC-MVQHSHHOSA-N": { "inchikey": "LVYOXPQJURJWPC-MVQHSHHOSA-N", "inchikey2D": "LVYOXPQJURJWPC", "names": [ "(2r)-2-[(1r,2r,3ar,5ar,9as,11ar)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid" ], "molecular_formula": "C30H44O4", "smiles": "CC(C)=CCC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0069420" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "VUCVZGYKEXVQJI-UHFFFAOYSA-N": { "inchikey": "VUCVZGYKEXVQJI-UHFFFAOYSA-N", "inchikey2D": "VUCVZGYKEXVQJI", "names": [ "methyl 6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoate" ], "molecular_formula": "C31H42O7", "smiles": "COC(=O)C(C)CC(=O)C=C(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0121879" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "HYGBHWPLEUKJIK-LUMGQHEXSA-N": { "inchikey": "HYGBHWPLEUKJIK-LUMGQHEXSA-N", "inchikey2D": "HYGBHWPLEUKJIK", "names": [ "(1s,3ar,7s,9as,9br,11ar)-1-[(3e,5r)-5,6-dimethylhept-3-en-2-yl]-3a,7,9b-trihydroxy-9a,11a-dimethyl-dodecahydrocyclopenta[a]phenanthren-4-one", "3β,9α,14α-trihydroxy-(22E,24R)-ergost-22-en-7-one" ], "molecular_formula": "C28H46O4", "smiles": "CC(/C=C/[C@H](C)C(C)C)[C@@H]1CC[C@@]2(O)C3C(=O)CC4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0071600", "npaid": "NPA024208" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "IABFUGDOHOVCEJ-MHSARYRJSA-N": { "inchikey": "IABFUGDOHOVCEJ-MHSARYRJSA-N", "inchikey2D": "IABFUGDOHOVCEJ", "names": [ "(4r)-4-[(1s,3r,6r,7r,11s,12r,13s)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0²,¹⁰.0³,⁷]pentadec-2(10)-en-6-yl]pentanoic acid", "Fornicatin A" ], "molecular_formula": "C27H40O7", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@](C)(CCC(=O)O)[C@H]1C[C@@H]3O[C@]1(C)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0069888", "npaid": "NPA012071" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "QGVZQZMAEWLWAZ-AHHVZPFWSA-N": { "inchikey": "QGVZQZMAEWLWAZ-AHHVZPFWSA-N", "inchikey2D": "QGVZQZMAEWLWAZ", "names": [ "(6r)-6-[(1r,3r,3ar,5as,6s,9as,11ar)-3-hydroxy-3a,6,9a,11a-tetramethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganohainanic acid E" ], "molecular_formula": "C29H40O7", "smiles": "CC(CC(=O)C[C@@H](C)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0071016", "npaid": "NPA005154" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "OKSZMXGJWFDGLW-XRQJCLDNSA-N": { "inchikey": "OKSZMXGJWFDGLW-XRQJCLDNSA-N", "inchikey2D": "OKSZMXGJWFDGLW", "names": [ "(2e,4s,6r)-6-[(1r,3ar,5ar,6s,9as,11s,11ar)-11-(acetyloxy)-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid", "Ganoleucoin U" ], "molecular_formula": "C32H42O10", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3[C@@](C)(CO)C(=O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@H](C)C[C@H](O)/C=C(\\C)C(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0070518", "npaid": "NPA028207" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "HZSSXIBJQNNCMO-OURSGRSSSA-N": { "inchikey": "HZSSXIBJQNNCMO-OURSGRSSSA-N", "inchikey2D": "HZSSXIBJQNNCMO", "names": [ "methyl (2r,6r)-6-[(1s,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O6", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0070751" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CFEOWVOXMOQJKP-AFMYOMFFSA-N": { "inchikey": "CFEOWVOXMOQJKP-AFMYOMFFSA-N", "inchikey2D": "CFEOWVOXMOQJKP", "names": [ "(2z,5e)-2-[2-(2,5-dihydroxyphenyl)ethylidene]-6,10-dimethylundeca-5,9-dien-1-yl acetate", "Gancochlearol D" ], "molecular_formula": "C23H32O4", "smiles": "CC(=O)OC/C(=C\\Cc1cc(O)ccc1O)CC/C=C(\\C)CCC=C(C)C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0083310", "npaid": "NPA027953" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "WRTHLDKBEDRUGJ-GTDKERDESA-N": { "inchikey": "WRTHLDKBEDRUGJ-GTDKERDESA-N", "inchikey2D": "WRTHLDKBEDRUGJ", "names": [ "(2s,6r)-6-[(1r,3s,3as,3br,5ar,9as,9bs,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-decahydrocyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O7", "smiles": "C[C@@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)[C@@H]3C(=O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0221966" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GGXULTHGGJJDGL-UHFFFAOYSA-N": { "inchikey": "GGXULTHGGJJDGL-UHFFFAOYSA-N", "inchikey2D": "GGXULTHGGJJDGL", "names": [ "14-methoxy-8-oxa-17-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(10),2,4,6,11(15),16-hexaen-4-ol" ], "molecular_formula": "C16H15NO3", "smiles": "COC1CCc2c1cnc1c2COc2ccc(O)cc2-1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0088398" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DDISIVDLQGVXCN-UHFFFAOYSA-N": { "inchikey": "DDISIVDLQGVXCN-UHFFFAOYSA-N", "inchikey2D": "DDISIVDLQGVXCN", "names": [ "2-methyl-4-oxo-6-{3,10,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}hept-5-enoic acid" ], "molecular_formula": "C30H42O8", "smiles": "CC(=CC(=O)CC(C)C(=O)O)C1CC(O)C2(C)C3=C(C(O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0127057" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "MMVSNLKSAHIETF-HAPVDJJQSA-N": { "inchikey": "MMVSNLKSAHIETF-HAPVDJJQSA-N", "inchikey2D": "MMVSNLKSAHIETF", "names": [ "(1r,3s,9ar,9br,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-3-hydroxy-9a,11a-dimethyl-1h,2h,3h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C28H40O2", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1C[C@H](O)C2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0218325" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SEBUKQPVLOBITO-UTOTWVBOSA-N": { "inchikey": "SEBUKQPVLOBITO-UTOTWVBOSA-N", "inchikey2D": "SEBUKQPVLOBITO", "names": [ "Not named", "methyl (2s,6r)-6-[(1r,3r,3ar,5ar,6r,9as,11ar)-3-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O8", "smiles": "COC(=O)[C@@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0075134", "npaid": "NPA019560" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "XXRAHMQIWCNBKA-UHFFFAOYSA-N": { "inchikey": "XXRAHMQIWCNBKA-UHFFFAOYSA-N", "inchikey2D": "XXRAHMQIWCNBKA", "names": [ "3-[9-hydroxy-3-(5-methoxy-5-oxopentan-2-yl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-6-yl]propanoic acid" ], "molecular_formula": "C28H42O6", "smiles": "C=C(C)C1CC(O)C2=C(C(=O)CC3(C)C(C(C)CCC(=O)OC)CCC23C)C1(C)CCC(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0209735" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "FAKYHKLJJUJWQN-UHFFFAOYSA-N": { "inchikey": "FAKYHKLJJUJWQN-UHFFFAOYSA-N", "inchikey2D": "FAKYHKLJJUJWQN", "names": [ "ethyl 6-[11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C34H46O9", "smiles": "CCOC(=O)C(C)CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0057811" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UTBFITAKBXMXCZ-ZYHUDNBSSA-N": { "inchikey": "UTBFITAKBXMXCZ-ZYHUDNBSSA-N", "inchikey2D": "UTBFITAKBXMXCZ", "names": [ "(5r,8r)-5-isopropyl-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol" ], "molecular_formula": "C15H22O", "smiles": "Cc1cc2c(cc1O)[C@H](C)CC[C@@H]2C(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0081830" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "UEEGPTLRKRDHLY-OEFAOSIFSA-N": { "inchikey": "UEEGPTLRKRDHLY-OEFAOSIFSA-N", "inchikey2D": "UEEGPTLRKRDHLY", "names": [ "methyl (2r,6r)-6-[(1s,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H48O7", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0083135" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BNIRNFGPJVLFAH-IRSMUZKKSA-N": { "inchikey": "BNIRNFGPJVLFAH-IRSMUZKKSA-N", "inchikey2D": "BNIRNFGPJVLFAH", "names": [ "Butyl lucidenate Q", "butyl (4r)-4-[(1r,3s,3ar,4s,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C31H48O6", "smiles": "CCCCOC(=O)CC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0211553", "npaid": "NPA012699" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AZPOACUDFJKUHJ-ABNKVAORSA-N": { "inchikey": "AZPOACUDFJKUHJ-ABNKVAORSA-N", "inchikey2D": "AZPOACUDFJKUHJ", "names": [ "(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-1-[(2s)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one" ], "molecular_formula": "C30H48O3", "smiles": "CC(=CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0229480" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MIRXTBPIFWAALT-UHFFFAOYSA-N": { "inchikey": "MIRXTBPIFWAALT-UHFFFAOYSA-N", "inchikey2D": "MIRXTBPIFWAALT", "names": [ "15-acetyl-7-hydroxy-6,6,10,14,18-pentamethyl-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-ene-13,17-dione" ], "molecular_formula": "C24H32O5", "smiles": "CC(=O)C1CC(=O)C2(C)C1(C)C(=O)C=C1C3(C)CCC(O)C(C)(C)C3CC3OC132", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0198240" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "RMRKJRDHXPFMFC-GMLHSMKSSA-N": { "inchikey": "RMRKJRDHXPFMFC-GMLHSMKSSA-N", "inchikey2D": "RMRKJRDHXPFMFC", "names": [ "(-)-chizhine E", "(2e)-5-[(5s)-5-(2,5-dihydroxyphenyl)-2-oxo-5h-furan-3-yl]-2-methylpent-2-enal" ], "molecular_formula": "C16H16O5", "smiles": "C/C(C=O)=C\\CCC1=C[C@@H](c2cc(O)ccc2O)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0073669", "npaid": "NPA018917" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MIWGXXQCEDNROQ-UZOYOLKESA-N": { "inchikey": "MIWGXXQCEDNROQ-UZOYOLKESA-N", "inchikey2D": "MIWGXXQCEDNROQ", "names": [ "(2e,4s,6r)-6-[(1r,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid", "Ganoderic acid ε" ], "molecular_formula": "C30H44O7", "smiles": "C/C(=C\\[C@@H](O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0194844", "npaid": "NPA014870" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DYOKDAQBNHPJFD-PMVVSAHYSA-N": { "inchikey": "DYOKDAQBNHPJFD-PMVVSAHYSA-N", "inchikey2D": "DYOKDAQBNHPJFD", "names": [ "(2r,6r)-6-[(1r,3s,3ar,4s,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganoderic acid" ], "molecular_formula": "C30H44O7", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0229004", "npaid": "NPA006763" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DNYQAKIYBSPDIF-KPXOXKRLSA-N": { "inchikey": "DNYQAKIYBSPDIF-KPXOXKRLSA-N", "inchikey2D": "DNYQAKIYBSPDIF", "names": [ "(-)-applanatumol Y", "methyl (3s,6s,7r)-11-hydroxy-8-oxo-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-6-carboxylate" ], "molecular_formula": "C14H14O5", "smiles": "COC(=O)[C@H]1CC[C@@H]2Oc3ccc(O)cc3C(=O)[C@@H]21", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0075233", "npaid": "NPA002766" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "RKBAYVATPNYHLW-UHFFFAOYSA-N": { "inchikey": "RKBAYVATPNYHLW-UHFFFAOYSA-N", "inchikey2D": "RKBAYVATPNYHLW", "names": [ "bisabolol oxide b" ], "molecular_formula": "C15H26O2", "smiles": "CC1=CCC(C2(C)CCC(C(C)(C)O)O2)CC1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0220687" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ICIQEEKXLSGEHH-HIQIEUSPSA-N": { "inchikey": "ICIQEEKXLSGEHH-HIQIEUSPSA-N", "inchikey2D": "ICIQEEKXLSGEHH", "names": [ "methyl (6r)-6-[(1r,3ar,5ar,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C33H44O9", "smiles": "COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0051887" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GLUXWRYPXYKXKV-UHFFFAOYSA-N": { "inchikey": "GLUXWRYPXYKXKV-UHFFFAOYSA-N", "inchikey2D": "GLUXWRYPXYKXKV", "names": [ "4-{3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoic acid" ], "molecular_formula": "C27H36O6", "smiles": "CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0085391" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZKQRGSXITBHHPC-VVQHAZRASA-N": { "inchikey": "ZKQRGSXITBHHPC-VVQHAZRASA-N", "inchikey2D": "ZKQRGSXITBHHPC", "names": [ "ergosta-5,7-dien-3β-ol" ], "molecular_formula": "C28H46O", "smiles": "CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Saccharomyces cerevisiae" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0082540" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Saccharomyces cerevisiae==Saccharomyces cerevisiae" ] }, "KNBIXJUWSSXAAS-XZDWODFWSA-N": { "inchikey": "KNBIXJUWSSXAAS-XZDWODFWSA-N", "inchikey2D": "KNBIXJUWSSXAAS", "names": [ "(4r)-4-[(2r,3s,7r,9s,11r,14r,15r,17r)-9,17-dihydroxy-2,6,6,11,15-pentamethyl-5,12-dioxopentacyclo[8.7.0.0²,⁷.0³,¹⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]pentanoic acid", "Ganosinensic acid A" ], "molecular_formula": "C27H38O6", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C4[C@@](O)(C[C@]12C)[C@H]1CC(=O)C(C)(C)[C@H](C[C@@H]3O)[C@@]41C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0084693", "npaid": "NPA001829" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "DYOKDAQBNHPJFD-HMOSSSIVSA-N": { "inchikey": "DYOKDAQBNHPJFD-HMOSSSIVSA-N", "inchikey2D": "DYOKDAQBNHPJFD", "names": [ "(6r)-6-[(1r,3s,3ar,4r,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganoderic acid A" ], "molecular_formula": "C30H44O7", "smiles": "CC(CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0026204", "npaid": "NPA012357" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BZWPDDPIFDNFIU-VIFPVBQESA-N": { "inchikey": "BZWPDDPIFDNFIU-VIFPVBQESA-N", "inchikey2D": "BZWPDDPIFDNFIU", "names": [ "(-)-applanatumol Z2", "methyl (3s)-7-hydroxy-9-oxo-1h,2h,3h-cyclopenta[b]chromene-3-carboxylate" ], "molecular_formula": "C14H12O5", "smiles": "COC(=O)[C@H]1CCc2c1oc1ccc(O)cc1c2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0100877", "npaid": "NPA018494" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "DUXFFVYODRXEPM-UHFFFAOYSA-N": { "inchikey": "DUXFFVYODRXEPM-UHFFFAOYSA-N", "inchikey2D": "DUXFFVYODRXEPM", "names": [ "methyl 6-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-3-hydroxy-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O8", "smiles": "COC(=O)C(C)C(O)C(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0081242" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "UBUDHORULOYWEA-UHFFFAOYSA-N": { "inchikey": "UBUDHORULOYWEA-UHFFFAOYSA-N", "inchikey2D": "UBUDHORULOYWEA", "names": [ "11-hydroxy-8-oxo-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-6-carboxylic acid" ], "molecular_formula": "C13H12O5", "smiles": "O=C(O)C1CCC2Oc3ccc(O)cc3C(=O)C21", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0077917" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "CCFJNENDJAYEAK-SUQAILFCSA-N": { "inchikey": "CCFJNENDJAYEAK-SUQAILFCSA-N", "inchikey2D": "CCFJNENDJAYEAK", "names": [ "(2r,5z)-6-[(1s,3r,5s,10r,14s,15s,16s,18s)-16-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O7", "smiles": "C/C(=C/C(=O)C[C@@H](C)C(=O)O)[C@@H]1[C@@H](O)C[C@@]2(C)[C@@]1(C)C(=O)C=C1[C@@]23O[C@@H]3C[C@@H]2C(C)(C)C(=O)CC[C@@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0167290" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "CLSQDKKKSJPJCC-UWYSXQONSA-N": { "inchikey": "CLSQDKKKSJPJCC-UWYSXQONSA-N", "inchikey2D": "CLSQDKKKSJPJCC", "names": [ "methyl (2r,6r)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O7", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0091635" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QWJRHUXWTWGMGV-UHFFFAOYSA-N": { "inchikey": "QWJRHUXWTWGMGV-UHFFFAOYSA-N", "inchikey2D": "QWJRHUXWTWGMGV", "names": [ "methyl 6-hydroxy-6-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O8", "smiles": "COC(=O)C(C)CC(=O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0078369" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VOBDLFOMWLMXRY-UHFFFAOYSA-N": { "inchikey": "VOBDLFOMWLMXRY-UHFFFAOYSA-N", "inchikey2D": "VOBDLFOMWLMXRY", "names": [ "2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(1-hydroxypropan-2-yl)oxolane-2-carboxylic acid" ], "molecular_formula": "C16H20O7", "smiles": "CC(CO)C1CCC(CC(=O)c2cc(O)ccc2O)(C(=O)O)O1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0095493" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "RDZRNUXQSVYSHW-DEPVCMHBSA-N": { "inchikey": "RDZRNUXQSVYSHW-DEPVCMHBSA-N", "inchikey2D": "RDZRNUXQSVYSHW", "names": [ "methyl (6r)-6-[(1r,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O7", "smiles": "COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0029923" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RMRKJRDHXPFMFC-UHFFFAOYSA-N": { "inchikey": "RMRKJRDHXPFMFC-UHFFFAOYSA-N", "inchikey2D": "RMRKJRDHXPFMFC", "names": [ "5-[5-(2,5-dihydroxyphenyl)-2-oxo-5h-furan-3-yl]-2-methylpent-2-enal" ], "molecular_formula": "C16H16O5", "smiles": "CC(C=O)=CCCC1=CC(c2cc(O)ccc2O)OC1=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0043407" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JZZMIFMLEGZFJO-TYVNISONSA-N": { "inchikey": "JZZMIFMLEGZFJO-TYVNISONSA-N", "inchikey2D": "JZZMIFMLEGZFJO", "names": [ "20-hydroxylucidenic acid E2", "4-[(1s,3ar,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxypentanoic acid" ], "molecular_formula": "C29H40O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@H](C(C)(O)CCC(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0030491", "npaid": "NPA005189" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FJKXTYHCAANBDR-UHFFFAOYSA-N": { "inchikey": "FJKXTYHCAANBDR-UHFFFAOYSA-N", "inchikey2D": "FJKXTYHCAANBDR", "names": [ "5'-{7-carboxy-7-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3-formyl-8-hydroxybicyclo[3.3.1]non-3-en-1-yl}-5-hydroxy-3-oxospiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylic acid" ], "molecular_formula": "C32H30O12", "smiles": "O=CC1=CC2CC(CC(=O)c3cc(O)ccc3O)(C(=O)O)C(O)C(C3CCC(C(=O)O)C34Oc3ccc(O)cc3C4=O)(C1)C2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0183157" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "QGNJGKWIOMQCST-UHFFFAOYSA-N": { "inchikey": "QGNJGKWIOMQCST-UHFFFAOYSA-N", "inchikey2D": "QGNJGKWIOMQCST", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,5h,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-3a,5,5a,7,9b-pentol" ], "molecular_formula": "C28H46O5", "smiles": "CC(C)C(C)C=CC(C)C1CCC2(O)C3=CC(O)C4(O)CC(O)CCC4(C)C3(O)CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0091233" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LFZXDPZHYHAKCQ-UHFFFAOYSA-N": { "inchikey": "LFZXDPZHYHAKCQ-UHFFFAOYSA-N", "inchikey2D": "LFZXDPZHYHAKCQ", "names": [ "6-[3-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-2-enoic acid" ], "molecular_formula": "C32H46O6", "smiles": "CC(=O)OC1CC(C(C)CC(=O)C=C(C)C(=O)O)C2(C)CC=C3C(=CCC4C3(C)CCC(O)C4(C)C)C12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0091948" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KNLDCVVYBDMCGK-UHFFFAOYSA-N": { "inchikey": "KNLDCVVYBDMCGK-UHFFFAOYSA-N", "inchikey2D": "KNLDCVVYBDMCGK", "names": [ "6-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H46O5", "smiles": "CC(=O)OC(CC=C(C)C(=O)O)C(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0098408" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "KQKZINUOFUEGEI-ATXGJPNVSA-N": { "inchikey": "KQKZINUOFUEGEI-ATXGJPNVSA-N", "inchikey2D": "KQKZINUOFUEGEI", "names": [ "(2e,5s,6r)-6-[(1r,3s,3ar,5ar,7s,9as,11ar)-3-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O7", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0044059" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RTQWQWAJAUQCJI-NYILLWABSA-N": { "inchikey": "RTQWQWAJAUQCJI-NYILLWABSA-N", "inchikey2D": "RTQWQWAJAUQCJI", "names": [ "(2r,5s,7r,9r,15r,16r)-5-hydroxy-15-[(2r,4r,5r)-4-hydroxy-5,6-dimethylheptan-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-1(11)-en-10-one" ], "molecular_formula": "C28H44O4", "smiles": "CC(C)[C@@H](C)[C@H](O)C[C@@H](C)[C@H]1CCC2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2C3=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0098251" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "UHWQEZRJCQBGPF-IMOUCGDLSA-N": { "inchikey": "UHWQEZRJCQBGPF-IMOUCGDLSA-N", "inchikey2D": "UHWQEZRJCQBGPF", "names": [ "(2e,4e)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-[(2s,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]penta-2,4-dienoic acid", "Cochlearol E" ], "molecular_formula": "C21H26O7", "smiles": "CC(C)(O)[C@H]1CC[C@@](C)(/C=C/C=C(\\CC(=O)c2cc(O)ccc2O)C(=O)O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0031167", "npaid": "NPA026906" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "OPECNRIVPMYGNT-GBMWFCEBSA-N": { "inchikey": "OPECNRIVPMYGNT-GBMWFCEBSA-N", "inchikey2D": "OPECNRIVPMYGNT", "names": [ "Colossolactone B", "[(1r,3ar,5ar,7s,9ar,11ar)-7-hydroxy-3a,6,6,11a-tetramethyl-1-[(1s)-1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-9a-yl]methyl acetate" ], "molecular_formula": "C32H48O5", "smiles": "CC(=O)OC[C@]12CC[C@H](O)C(C)(C)[C@@H]1CCC1=C2CC[C@]2(C)[C@@H]([C@H](C)C3CC=C(C)C(=O)O3)CC[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0091109", "npaid": "NPA005219" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "BHISOVHYFGGJLO-NSISKUIASA-N": { "inchikey": "BHISOVHYFGGJLO-NSISKUIASA-N", "inchikey2D": "BHISOVHYFGGJLO", "names": [ "(1r,2r,5r)-10-hydroxy-5-methyl-2-(prop-1-en-2-yl)-6-oxatetracyclo[11.4.0.0¹,⁵.0⁷,¹²]heptadeca-7,9,11,13-tetraen-15-one", "Ganocin B" ], "molecular_formula": "C20H22O3", "smiles": "C=C(C)[C@H]1CC[C@@]2(C)Oc3ccc(O)cc3C3=CC(=O)CC[C@]312", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0156371", "npaid": "NPA009527" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "FROUXXYVOAIKFY-PNXVDQOQSA-N": { "inchikey": "FROUXXYVOAIKFY-PNXVDQOQSA-N", "inchikey2D": "FROUXXYVOAIKFY", "names": [ "methyl (2r,6r)-6-[(1r,3s,3ar,5ar,7s,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H48O6", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0079927" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VCCZNZDGMFCWPD-UHFFFAOYSA-N": { "inchikey": "VCCZNZDGMFCWPD-UHFFFAOYSA-N", "inchikey2D": "VCCZNZDGMFCWPD", "names": [ "6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3a-(dimethoxymethyl)-4-hydroxy-tetrahydrocyclopenta[c]furan-1-one" ], "molecular_formula": "C18H22O8", "smiles": "COC(OC)C12COC(=O)C1(CC(=O)c1cc(O)ccc1O)CCC2O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0045761" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma 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"(2s)-2-{[(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-4-(c-hydroxycarbonimidoyl)butylidene]amino}-3-carboxy-1-hydroxypropylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-4-methylpentanoic acid", "Gln-Asp-Val-Leu" ], "molecular_formula": "C20H35N5O8", "smiles": "CC(C)C[C@H](N=C(O)[C@@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@@H](N)CCC(=N)O)C(C)C)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0043656", "npaid": "NPA026293" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BZZZJJOXKWAEPR-UPESYBHUSA-N": { "inchikey": "BZZZJJOXKWAEPR-UPESYBHUSA-N", "inchikey2D": "BZZZJJOXKWAEPR", "names": [ "(-)-cochlearoid N", "ethyl (1s,2r,5r)-16-[(2z)-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-4-hydroxybut-2-en-1-yl]-10,14-dihydroxy-2-(prop-1-en-2-yl)-6,18-dioxapentacyclo[9.7.1.1¹,⁵.0⁷,¹⁹.0¹²,¹⁷]icosa-7(19),8,10,12,14,16-hexaene-5-carboxylate" ], "molecular_formula": "C39H48O7", "smiles": "C=C(C)[C@H]1CC[C@]2(C(=O)OCC)C[C@]13Oc1c(C/C=C(\\CO)CC/C=C(\\C)CCC=C(C)C)cc(O)cc1-c1c(O)ccc(c13)O2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0098041", "npaid": "NPA026102" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "KCQYWDVUFDEZQI-UHFFFAOYSA-N": { "inchikey": "KCQYWDVUFDEZQI-UHFFFAOYSA-N", "inchikey2D": "KCQYWDVUFDEZQI", "names": [ "6-[7,17-dihydroxy-6-(hydroxymethyl)-6,10,14,18-tetramethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O9", "smiles": "CC(CC(=O)CC(C)(O)C1=CC(O)C2(C)C1(C)C(=O)C=C1C3(C)CCC(O)C(C)(CO)C3CC3OC132)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0047119" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "QGVZQZMAEWLWAZ-UHFFFAOYSA-N": { "inchikey": "QGVZQZMAEWLWAZ-UHFFFAOYSA-N", "inchikey2D": "QGVZQZMAEWLWAZ", "names": [ "6-{3-hydroxy-3a,6,9a,11a-tetramethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C29H40O7", "smiles": "CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0082003" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "CPFRWYYLAGWVEV-UHFFFAOYSA-N": { "inchikey": "CPFRWYYLAGWVEV-UHFFFAOYSA-N", "inchikey2D": "CPFRWYYLAGWVEV", "names": [ "1-(7-hydroxy-6-methyl-3-oxohept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H44O3", "smiles": "CC(=CCC(=O)C(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0034128" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VKMZACSYECLFAU-UHFFFAOYSA-N": { "inchikey": "VKMZACSYECLFAU-UHFFFAOYSA-N", "inchikey2D": "VKMZACSYECLFAU", "names": [ "2-{7-[(3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methyl-5-methylideneheptanoic acid" ], "molecular_formula": "C38H60O7", "smiles": "C=C(CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(=O)CC(C)(O)CC(=O)OC)C(C)(C)C1CC3)C(C)C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0045861" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "BKXWDIMPBHNMLN-KFZJALRRSA-N": { "inchikey": "BKXWDIMPBHNMLN-KFZJALRRSA-N", "inchikey2D": "BKXWDIMPBHNMLN", "names": [ "(-)-applanatumol D", "(1s,5s,8r,11s)-5-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-11-hydroxy-3,9-dioxatricyclo[6.3.0.0¹,⁵]undecane-4,10-dione" ], "molecular_formula": "C17H16O8", "smiles": "O=C(C[C@@]12CC[C@H]3OC(=O)[C@@H](O)[C@]31COC2=O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0032830", "npaid": "NPA016876" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "FMNZGPOZCOZLMN-UHFFFAOYSA-N": { "inchikey": "FMNZGPOZCOZLMN-UHFFFAOYSA-N", "inchikey2D": "FMNZGPOZCOZLMN", "names": [ "3-hydroxy-6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O7", "smiles": "CC(CC(=O)C(O)C(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0185851" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "LWPLEHFGBRFRKI-BBFKVXDGSA-N": { "inchikey": "LWPLEHFGBRFRKI-BBFKVXDGSA-N", "inchikey2D": "LWPLEHFGBRFRKI", "names": [ "(6r)-6-[(1r,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O7", "smiles": "CC(CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0074695" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YQQKSGPKPVCRLM-SQADWDCGSA-N": { "inchikey": "YQQKSGPKPVCRLM-SQADWDCGSA-N", "inchikey2D": "YQQKSGPKPVCRLM", "names": [ "methyl (5z)-6-[(1s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoate" ], "molecular_formula": "C31H44O6", "smiles": "COC(=O)C(C)CC(=O)/C=C(/C)[C@@H]1CCC2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0085974" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "INRKRFBQMVZPSW-YXYGWIHKSA-N": { "inchikey": "INRKRFBQMVZPSW-YXYGWIHKSA-N", "inchikey2D": "INRKRFBQMVZPSW", "names": [ "(2s,6s)-6-[(1s,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O8", "smiles": "C[C@@H](CC(=O)C[C@](C)(O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0069957" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "PNXHXPQJFNVWQM-AHQMPEJBSA-N": { "inchikey": "PNXHXPQJFNVWQM-AHQMPEJBSA-N", "inchikey2D": "PNXHXPQJFNVWQM", "names": [ "(2s,5e)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6,10-dimethylundeca-5,9-dienoic acid" ], "molecular_formula": "C21H28O5", "smiles": "CC(C)=CCC/C(C)=C/CC[C@@H](CC(=O)c1cc(O)ccc1O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0033361" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "FELIGGHUKPABHF-NFUSRDRESA-N": { "inchikey": "FELIGGHUKPABHF-NFUSRDRESA-N", "inchikey2D": "FELIGGHUKPABHF", "names": [ "(2e,6s)-6-[(1s,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H42O7", "smiles": "C/C(=C\\CC[C@](C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0001693" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OPLJGFXQJUOYGT-WBCKFURZSA-N": { "inchikey": "OPLJGFXQJUOYGT-WBCKFURZSA-N", "inchikey2D": "OPLJGFXQJUOYGT", "names": [ "(+)-gancochlearol C", "(2s)-2,5'-bis(2,5-dihydroxyphenyl)-3',4-bis(4,8-dimethylnona-3,7-dien-1-yl)-[2,2'-bifuran]-5-one" ], "molecular_formula": "C42H50O7", "smiles": "CC(C)=CCCC(C)=CCCC1=C[C@](c2cc(O)ccc2O)(c2oc(-c3cc(O)ccc3O)cc2CCC=C(C)CCC=C(C)C)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0163344", "npaid": "NPA027950" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "HOPDNBIFYDWRMF-YULVEHMRSA-N": { "inchikey": "HOPDNBIFYDWRMF-YULVEHMRSA-N", "inchikey2D": "HOPDNBIFYDWRMF", "names": [ "(2e,6r)-6-[(1r,3ar,4s,5ar,6r,9as,11r,11ar)-11-(acetyloxy)-4-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoleuconin D" ], "molecular_formula": "C32H44O9", "smiles": "CC(=O)O[C@H]1C(=O)C2=C([C@@H](O)C[C@@H]3[C@]2(C)CCC(=O)[C@@]3(C)CO)[C@]2(C)C(=O)C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0156264", "npaid": "NPA009070" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "FCRKCTMVNYZRSA-UHFFFAOYSA-N": { "inchikey": "FCRKCTMVNYZRSA-UHFFFAOYSA-N", "inchikey2D": "FCRKCTMVNYZRSA", "names": [ "5-(2,5-dihydroxyphenyl)-3-(4,8-dimethylnona-3,7-dien-1-yl)-5-methoxyfuran-2-one" ], "molecular_formula": "C22H28O5", "smiles": "COC1(c2cc(O)ccc2O)C=C(CCC=C(C)CCC=C(C)C)C(=O)O1", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0075491" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "AJULRUMEMZKBQI-KFVMEEQISA-N": { "inchikey": "AJULRUMEMZKBQI-KFVMEEQISA-N", "inchikey2D": "AJULRUMEMZKBQI", "names": [ "(3ar,4s,5ar,9as,11ar)-1-acetyl-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-3,7,10-trione" ], "molecular_formula": "C24H32O5", "smiles": "CC(=O)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0171515" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KUXMNDKEYFTKBS-KIVXMFOGSA-N": { "inchikey": "KUXMNDKEYFTKBS-KIVXMFOGSA-N", "inchikey2D": "KUXMNDKEYFTKBS", "names": [ "(2e,6r)-6-[(1r,3s,3ar,4r,9as,11ar)-3-(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoderique acid V" ], "molecular_formula": "C32H48O6", "smiles": "CC(=O)O[C@H]1C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]2(C)CCC3=C([C@H](O)CC4C(C)(C)C(=O)CC[C@]34C)[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0169837", "npaid": "NPA007829" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OEZBWVDBROYJOW-LICLKQGHSA-N": { "inchikey": "OEZBWVDBROYJOW-LICLKQGHSA-N", "inchikey2D": "OEZBWVDBROYJOW", "names": [ "(±)-dayaolingzhiol E", "5-(2,5-dihydroxyphenyl)-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-5-ethoxyfuran-2-one" ], "molecular_formula": "C23H30O5", "smiles": "CCOC1(c2cc(O)ccc2O)C=C(CC/C=C(\\C)CCC=C(C)C)C(=O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0022340", "npaid": "NPA025733" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SAZFHNNKAYSDKP-UHFFFAOYSA-N": { "inchikey": "SAZFHNNKAYSDKP-UHFFFAOYSA-N", "inchikey2D": "SAZFHNNKAYSDKP", "names": [ "6-{10-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O5", "smiles": "CC(=CCCC(C)C1CCC2(C)C3=C(C(O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0171507" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CLSQDKKKSJPJCC-SIDCTSIPSA-N": { "inchikey": "CLSQDKKKSJPJCC-SIDCTSIPSA-N", "inchikey2D": "CLSQDKKKSJPJCC", "names": [ "methyl (2s,6r)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O7", "smiles": "COC(=O)[C@@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0180103" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZAXYODGMXBVXFP-HNNXBMFYSA-N": { "inchikey": "ZAXYODGMXBVXFP-HNNXBMFYSA-N", "inchikey2D": "ZAXYODGMXBVXFP", "names": [ "(7s)-7-(hydroxymethyl)-5,7-dimethyl-3h,4h,6h,8h-indeno[5,6-c]pyran-1-one" ], "molecular_formula": "C15H18O3", "smiles": "Cc1c2c(cc3c1CCOC3=O)C[C@](C)(CO)C2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0092444" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "VTYMQSGIAQPFCK-ZYCAGONGSA-N": { "inchikey": "VTYMQSGIAQPFCK-ZYCAGONGSA-N", "inchikey2D": "VTYMQSGIAQPFCK", "names": [ "2,7,10-trihydroxy-4-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzo[c]chromen-6-one", "Cochlearoid L" ], "molecular_formula": "C28H32O5", "smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1cc(O)cc2c1oc(=O)c1c(O)ccc(O)c12", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0032114", "npaid": "NPA028271" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "CPUBGSFPXHYHTG-UHFFFAOYSA-N": { "inchikey": "CPUBGSFPXHYHTG-UHFFFAOYSA-N", "inchikey2D": "CPUBGSFPXHYHTG", "names": [ "2-hydroxy-6-methyl-6-(4-methylpent-3-en-1-yl)-6ah,7h,8h-benzo[c]isochromen-9-one" ], "molecular_formula": "C20H24O3", "smiles": "CC(C)=CCCC1(C)Oc2ccc(O)cc2C2=CC(=O)CCC21", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0090104" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "IONXFEJSBGBYFB-UHFFFAOYSA-N": { "inchikey": "IONXFEJSBGBYFB-UHFFFAOYSA-N", "inchikey2D": "IONXFEJSBGBYFB", "names": [ "6-[3-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O8", "smiles": "CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(CO)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0156331" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "DWQITYXXLSIYTI-YFCUDECBSA-N": { "inchikey": "DWQITYXXLSIYTI-YFCUDECBSA-N", "inchikey2D": "DWQITYXXLSIYTI", "names": [ "(3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-1-[(2s)-1-hydroxypropan-2-yl]-3a,6,6,9a,11a-pentamethyl-3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-10-one", "Resinacein T" ], "molecular_formula": "C25H38O5", "smiles": "C[C@H](CO)C1=C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0020880", "npaid": "NPA026130" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "CJPRYGHXZADIKU-JMIYYXGTSA-N": { "inchikey": "CJPRYGHXZADIKU-JMIYYXGTSA-N", "inchikey2D": "CJPRYGHXZADIKU", "names": [ "(2e,5s,6r)-6-[(1r,3s,3ar,4r,5ar,7s,9as,11ar)-3,7-bis(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C36H54O9", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0176323" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FMWDHZPVFRVQMU-UHFFFAOYSA-N": { "inchikey": "FMWDHZPVFRVQMU-UHFFFAOYSA-N", "inchikey2D": "FMWDHZPVFRVQMU", "names": [ "5-(2,5-dihydroxyphenyl)-3-(5-hydroxy-4-methylpent-3-en-1-yl)-5h-furan-2-one" ], "molecular_formula": "C16H18O5", "smiles": "CC(=CCCC1=CC(c2cc(O)ccc2O)OC1=O)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0093990" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "DBCOZDMIVDWFEY-UHFFFAOYSA-N": { "inchikey": "DBCOZDMIVDWFEY-UHFFFAOYSA-N", "inchikey2D": "DBCOZDMIVDWFEY", "names": [ "17-hydroxy-6,6,10,14,18-pentamethyl-15-[1-(4-methyl-5-oxooxolan-2-yl)prop-1-en-2-yl]-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-ene-7,13-dione" ], "molecular_formula": "C30H40O6", "smiles": "CC(=CC1CC(C)C(=O)O1)C1CC(O)C2(C)C1(C)C(=O)C=C1C3(C)CCC(=O)C(C)(C)C3CC3OC132", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0089914" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "DNYQAKIYBSPDIF-FXAINCCUSA-N": { "inchikey": "DNYQAKIYBSPDIF-FXAINCCUSA-N", "inchikey2D": "DNYQAKIYBSPDIF", "names": [ "(+)-applanatumol Y", "methyl (3r,6r,7s)-11-hydroxy-8-oxo-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-6-carboxylate" ], "molecular_formula": "C14H14O5", "smiles": "COC(=O)[C@@H]1CC[C@H]2Oc3ccc(O)cc3C(=O)[C@H]21", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0034951", "npaid": "NPA004703" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "KXYWXCIDKNDYTK-ZPJQFTHUSA-N": { "inchikey": "KXYWXCIDKNDYTK-ZPJQFTHUSA-N", "inchikey2D": "KXYWXCIDKNDYTK", "names": [ "methyl (2s,6r)-6-[(1r,3ar,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C33H46O9", "smiles": "COC(=O)[C@@H](C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0088182" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YSBMLQVCOATJAG-UHFFFAOYSA-N": { "inchikey": "YSBMLQVCOATJAG-UHFFFAOYSA-N", "inchikey2D": "YSBMLQVCOATJAG", "names": [ "6-{3,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H42O7", "smiles": "CC(=CC(=O)CC(C)C(=O)O)C1CC(O)C2(C)C3=C(CC(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0090366" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "FWZRMYARQHUFQY-XZMJKANGSA-N": { "inchikey": "FWZRMYARQHUFQY-XZMJKANGSA-N", "inchikey2D": "FWZRMYARQHUFQY", "names": [ "(4r)-4-[(1r,3ar,4s,5ar,6r,7s,9as,11ar)-4,7-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H40O7", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0030436" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "TWEYHQNEHHTSGK-REIBODOFSA-N": { "inchikey": "TWEYHQNEHHTSGK-REIBODOFSA-N", "inchikey2D": "TWEYHQNEHHTSGK", "names": [ "(4s,7e,11z)-4,15-dihydroxy-3,3,7-trimethyl-2-oxabicyclo[12.3.1]octadeca-1(17),7,11,14(18),15-pentaene-11-carboxylic acid", "Petchiether A" ], "molecular_formula": "C21H28O5", "smiles": "C/C1=C\\CC/C(C(=O)O)=C/Cc2cc(ccc2O)OC(C)(C)[C@@H](O)CC1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0172406", "npaid": "NPA000106" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "QRWTVFKEWNICIM-CMPLNLGQSA-N": { "inchikey": "QRWTVFKEWNICIM-CMPLNLGQSA-N", "inchikey2D": "QRWTVFKEWNICIM", "names": [ "(+)-chizhine A", "(3s,5s)-3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(2-methylprop-1-en-1-yl)oxolan-2-one" ], "molecular_formula": "C16H18O5", "smiles": "CC(C)=C[C@@H]1C[C@@H](CC(=O)c2cc(O)ccc2O)C(=O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0069558", "npaid": "NPA006111" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MDGUMDPUTGUZOX-UHFFFAOYSA-N": { "inchikey": "MDGUMDPUTGUZOX-UHFFFAOYSA-N", "inchikey2D": "MDGUMDPUTGUZOX", "names": [ "methyl 6-[11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C33H48O9", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0096198" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KSROOTXYLRZSJU-UHFFFAOYSA-N": { "inchikey": "KSROOTXYLRZSJU-UHFFFAOYSA-N", "inchikey2D": "KSROOTXYLRZSJU", "names": [ "6-{3,3b-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,7,11-trioxo-3h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H40O9", "smiles": "CC(CC(=O)CC(C)(O)C1=CC(O)C2(C)C1(C)C(=O)C=C1C3(C)CCC(=O)C(C)(C)C3CC(=O)C12O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0098686" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "SLKPBCXNFNIJSV-HNNXBMFYSA-N": { "inchikey": "SLKPBCXNFNIJSV-HNNXBMFYSA-N", "inchikey2D": "SLKPBCXNFNIJSV", "names": [ "cuparene" ], "molecular_formula": "C15H22", "smiles": "Cc1ccc([C@]2(C)CCCC2(C)C)cc1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0028747" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LVGCWXNRZNCAJG-UHFFFAOYSA-N": { "inchikey": "LVGCWXNRZNCAJG-UHFFFAOYSA-N", "inchikey2D": "LVGCWXNRZNCAJG", "names": [ "1-(5,6-dihydroxy-6-methylheptan-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione" ], "molecular_formula": "C30H48O4", "smiles": "CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0066798" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GJTWWQXLOACZKG-STIXBJEESA-N": { "inchikey": "GJTWWQXLOACZKG-STIXBJEESA-N", "inchikey2D": "GJTWWQXLOACZKG", "names": [ "6-[(3s,3ar,6s,7r,9br)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h-cyclopenta[a]naphthalen-3-yl]-6-hydroxy-2-methyl-3-methylidene-4-oxoheptanoic acid", "Spongiporic acid A" ], "molecular_formula": "C31H44O6", "smiles": "C=C(C(=O)CC(C)(O)[C@H]1CC[C@@]2(C)C3=CC[C@H](C(=C)C)[C@](C)(CCC(=O)O)C3=CC[C@]12C)C(C)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0165049", "npaid": "NPA006621" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AYWNKDXCSXDTNF-SOYBJVDOSA-N": { "inchikey": "AYWNKDXCSXDTNF-SOYBJVDOSA-N", "inchikey2D": "AYWNKDXCSXDTNF", "names": [ "(-)-cochlearoid O", "(2z,5e)-2-{2-[(1s,2r,5r)-5-(ethoxycarbonyl)-10,14-dihydroxy-2-(prop-1-en-2-yl)-6,18-dioxapentacyclo[9.7.1.1¹,⁵.0⁷,¹⁹.0¹²,¹⁷]icosa-7(19),8,10,12,14,16-hexaen-16-yl]ethylidene}-6,10-dimethylundeca-5,9-dienoic acid" ], "molecular_formula": "C39H46O8", "smiles": "C=C(C)[C@H]1CC[C@]2(C(=O)OCC)C[C@]13Oc1c(C/C=C(/CC/C=C(\\C)CCC=C(C)C)C(=O)O)cc(O)cc1-c1c(O)ccc(c13)O2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0160518", "npaid": "NPA026103" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "WWRCMNKATXZARA-UHFFFAOYSA-N": { "inchikey": "WWRCMNKATXZARA-UHFFFAOYSA-N", "inchikey2D": "WWRCMNKATXZARA", "names": [ "o-cymene" ], "molecular_formula": "C10H14", "smiles": "Cc1ccccc1C(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0096514" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VFLFRNUNYMZADL-FAMHMAGJSA-N": { "inchikey": "VFLFRNUNYMZADL-FAMHMAGJSA-N", "inchikey2D": "VFLFRNUNYMZADL", "names": [ "(1r,3ar,4s,5ar,7s,9as,11r,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-1-(3-methyl-5-oxooxolan-3-yl)-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthrene-3,10-dione", "12-epi-ganoderlactone D" ], "molecular_formula": "C27H38O7", "smiles": "CC1([C@H]2CC(=O)[C@@]3(C)C4=C(C(=O)[C@H](O)[C@]23C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2C[C@@H]4O)COC(=O)C1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0092495", "npaid": "NPA009828" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LJDYIANNVNRBHB-JFZDPHHGSA-N": { "inchikey": "LJDYIANNVNRBHB-JFZDPHHGSA-N", "inchikey2D": "LJDYIANNVNRBHB", "names": [ "(2r,6r)-6-[(1r,3ar,5ar,7r,9as,11ar)-7-[(2-carboxyacetyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylidene-4-oxoheptanoic acid" ], "molecular_formula": "C34H50O7", "smiles": "C=C(C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3)[C@@H](C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0019241" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "PCOWDCXEKLHAGL-RPRHRYETSA-N": { "inchikey": "PCOWDCXEKLHAGL-RPRHRYETSA-N", "inchikey2D": "PCOWDCXEKLHAGL", "names": [ "ethyl (6r)-6-[(1r,3ar,4s,5ar,7s,9as,11ar)-7-(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate", "ethyl 3-O-acetylganoderate B" ], "molecular_formula": "C34H50O8", "smiles": "CCOC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0166644", "npaid": "NPA005782" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XZLYASGIHCSKRD-GWAWULANSA-N": { "inchikey": "XZLYASGIHCSKRD-GWAWULANSA-N", "inchikey2D": "XZLYASGIHCSKRD", "names": [ "(-)-spirocochlealactone A", "(3r,4s)-3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3,4'-bis[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-6-hydroxyspiro[1-benzopyran-4,2'-furan]-2,5'-dione" ], "molecular_formula": "C42H50O8", "smiles": "CC(C)=CCC/C(C)=C/CCC1=C[C@]2(OC1=O)c1cc(O)ccc1OC(=O)[C@]2(CC/C=C(\\C)CCC=C(C)C)CC(=O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0098430", "npaid": "NPA028194" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "IVUMPSQJAYHIRL-UHFFFAOYSA-N": { "inchikey": "IVUMPSQJAYHIRL-UHFFFAOYSA-N", "inchikey2D": "IVUMPSQJAYHIRL", "names": [ "6-[10-(2-carboxyethyl)-3-hydroxy-2,6,10-trimethyl-7-oxo-11-(prop-1-en-2-yl)-14-oxatetracyclo[7.5.0.0¹,¹³.0²,⁶]tetradec-8-en-5-yl]-4-hydroxy-2-methylhept-5-enoic acid" ], "molecular_formula": "C30H42O8", "smiles": "C=C(C)C1CC2OC23C(=CC(=O)C2(C)C(C(C)=CC(O)CC(C)C(=O)O)CC(O)C23C)C1(C)CCC(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0001576" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "PUGBZUWUTZUUCP-HGZNMOHHSA-N": { "inchikey": "PUGBZUWUTZUUCP-HGZNMOHHSA-N", "inchikey2D": "PUGBZUWUTZUUCP", "names": [ "(1r,3ar,5ar,7s,9as,9br,11ar)-1-[(2r,5s)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C28H48O", "smiles": "CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0167790" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "PIXCAIMOZGDGSW-UHFFFAOYSA-N": { "inchikey": "PIXCAIMOZGDGSW-UHFFFAOYSA-N", "inchikey2D": "PIXCAIMOZGDGSW", "names": [ "5-(acetyloxy)-6-[3-(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O8", "smiles": "CC(=O)OC(CC=C(C)C(=O)O)C(C)C1CC(OC(C)=O)C2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0204204" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "IOWUVXAOWFISEL-PKNWOKOSSA-N": { "inchikey": "IOWUVXAOWFISEL-PKNWOKOSSA-N", "inchikey2D": "IOWUVXAOWFISEL", "names": [ "(2e,6r)-6-[(1r,3ar,4s,5ar,6r,9as,11r,11ar)-11-(acetyloxy)-6-({[(3s)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy}methyl)-4-hydroxy-3a,6,9a,11a-tetramethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoleucoin J" ], "molecular_formula": "C38H52O13", "smiles": "CC(=O)O[C@H]1C(=O)C2=C([C@@H](O)C[C@@H]3[C@]2(C)CCC(=O)[C@@]3(C)COC(=O)C[C@@](C)(O)CC(=O)O)[C@]2(C)C(=O)C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0068069", "npaid": "NPA011591" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "JBMVFHJFFZPAJI-UHFFFAOYSA-N": { "inchikey": "JBMVFHJFFZPAJI-UHFFFAOYSA-N", "inchikey2D": "JBMVFHJFFZPAJI", "names": [ "6-[4,7-bis(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H52O7", "smiles": "CC(=O)OC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)C(O)CC(C(C)CCC=C(C)C(=O)O)C1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0159231" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PCOWDCXEKLHAGL-UHFFFAOYSA-N": { "inchikey": "PCOWDCXEKLHAGL-UHFFFAOYSA-N", "inchikey2D": "PCOWDCXEKLHAGL", "names": [ "ethyl 6-[7-(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C34H50O8", "smiles": "CCOC(=O)C(C)CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0102016" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VAEJXEVKHVVLMH-UHFFFAOYSA-N": { "inchikey": "VAEJXEVKHVVLMH-UHFFFAOYSA-N", "inchikey2D": "VAEJXEVKHVVLMH", "names": [ "6-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2,3-dihydroxy-2-methylheptyl 2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoate" ], "molecular_formula": "C51H72O9", "smiles": "CC(=CCCC(C)=CCCC(=CC(=O)c1cc(O)ccc1O)C(=O)OCC(C)(O)C(O)CCC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0037137" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "JLZBFBIKPBNFQN-RYXAYRNZSA-N": { "inchikey": "JLZBFBIKPBNFQN-RYXAYRNZSA-N", "inchikey2D": "JLZBFBIKPBNFQN", "names": [ "(1s,3as,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2s)-2-methyl-5-oxooxolan-2-yl]-1h,2h,4h,5h,5ah,7h,8h,9h-cyclopenta[a]phenanthrene-3,10,11-trione", "Ganoderlactone E" ], "molecular_formula": "C27H36O7", "smiles": "CC1(C)[C@@H](O)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)C(=O)C[C@H]([C@]2(C)CCC(=O)O2)[C@@]1(C)C(=O)C3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0095147", "npaid": "NPA017612" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BEZWXQQEEVUVPY-UHFFFAOYSA-N": { "inchikey": "BEZWXQQEEVUVPY-UHFFFAOYSA-N", "inchikey2D": "BEZWXQQEEVUVPY", "names": [ "methyl 6-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O8", "smiles": "COC(=O)C(C)CC(=O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0101259" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CSKGXFUFBCYWJL-XCVZEWQMSA-N": { "inchikey": "CSKGXFUFBCYWJL-XCVZEWQMSA-N", "inchikey2D": "CSKGXFUFBCYWJL", "names": [ "3-[(1r,2s,3r,5r,6r,10s,11s,13r)-3-hydroxy-2,6,10-trimethyl-5-[(1e)-1-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]prop-1-en-2-yl]-7-oxo-11-(prop-1-en-2-yl)-14-oxatetracyclo[7.5.0.0¹,¹³.0²,⁶]tetradec-8-en-10-yl]propanoic acid", "Applanlactone B" ], "molecular_formula": "C30H40O7", "smiles": "C=C(C)[C@@H]1C[C@H]2O[C@@]23C(=CC(=O)[C@]2(C)[C@@H](/C(C)=C/[C@@H]4C[C@H](C)C(=O)O4)C[C@@H](O)[C@]23C)[C@@]1(C)CCC(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0025744", "npaid": "NPA025884" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "KYHKPCGXLKZMBU-UHFFFAOYSA-N": { "inchikey": "KYHKPCGXLKZMBU-UHFFFAOYSA-N", "inchikey2D": "KYHKPCGXLKZMBU", "names": [ "3,4,7-trihydroxy-3',3a,4'',6,6,9a,11a-heptamethyl-3,4,5,5a,7,8,9,11-octahydro-2h-dispiro[cyclopenta[a]phenanthrene-1,2':5',2''-bis(oxolane)]-5'',10-dione" ], "molecular_formula": "C30H44O7", "smiles": "CC1CC2(CC(C)C3(CC(O)C4(C)C5=C(C(=O)CC34C)C3(C)CCC(O)C(C)(C)C3CC5O)O2)OC1=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0173324" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "WYUGOKWLBXFMGU-CGAVQWHESA-N": { "inchikey": "WYUGOKWLBXFMGU-CGAVQWHESA-N", "inchikey2D": "WYUGOKWLBXFMGU", "names": [ "4-[(1s,3ar,4s,7s,9as,10s,11ar)-4,7,10-trihydroxy-3a,6,6,9a,11a-pentamethyl-3-oxo-1h,2h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid", "Lucidenic acid C" ], "molecular_formula": "C27H42O6", "smiles": "CC(CCC(=O)O)[C@@H]1CC(=O)[C@@]2(C)C3=C([C@@H](O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0100352", "npaid": "NPA019228" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BIAWVSQLGIZZHL-MRXNPFEDSA-N": { "inchikey": "BIAWVSQLGIZZHL-MRXNPFEDSA-N", "inchikey2D": "BIAWVSQLGIZZHL", "names": [ "(+)-applanatumol O", "(1r)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3-formylcyclohex-3-ene-1-carboxylic acid" ], "molecular_formula": "C16H16O6", "smiles": "O=CC1=CCC[C@@](CC(=O)c2cc(O)ccc2O)(C(=O)O)C1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0163771", "npaid": "NPA002320" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "WQMDPDQGTLRSTR-UHFFFAOYSA-N": { "inchikey": "WQMDPDQGTLRSTR-UHFFFAOYSA-N", "inchikey2D": "WQMDPDQGTLRSTR", "names": [ "butyl 6-{3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C34H52O7", "smiles": "CCCCOC(=O)C(C)CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0027428" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OCLVBEOPEKEKNM-NJQKQYDVSA-N": { "inchikey": "OCLVBEOPEKEKNM-NJQKQYDVSA-N", "inchikey2D": "OCLVBEOPEKEKNM", "names": [ "(2e,5s,6r)-6-[(1r,3s,3ar,5ar,7s,9as,11ar)-3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C36H52O8", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0059764" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QHLHTTNIUVMWRY-DEVDWOEKSA-N": { "inchikey": "QHLHTTNIUVMWRY-DEVDWOEKSA-N", "inchikey2D": "QHLHTTNIUVMWRY", "names": [ "(2e,6r)-6-[(1r,3ar,4r,5as,7r,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H48O4", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C[C@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0040595" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UDYMSQQWPPCJJI-UHFFFAOYSA-N": { "inchikey": "UDYMSQQWPPCJJI-UHFFFAOYSA-N", "inchikey2D": "UDYMSQQWPPCJJI", "names": [ "6-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-1,2-dihydroxy-2-methylheptan-3-yl 2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoate" ], "molecular_formula": "C51H72O9", "smiles": "CC(=CCCC(C)=CCCC(=CC(=O)c1cc(O)ccc1O)C(=O)OC(CCC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)C(C)(O)CO)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0181563" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "AUAXRALNWSHMRJ-FLLPGGQKSA-N": { "inchikey": "AUAXRALNWSHMRJ-FLLPGGQKSA-N", "inchikey2D": "AUAXRALNWSHMRJ", "names": [ "(2e,4s,6r)-6-[(1r,3s,3ar,5as,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O6", "smiles": "C/C(=C\\[C@@H](O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0181746" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FQEMSQQCAVCVGA-UHFFFAOYSA-N": { "inchikey": "FQEMSQQCAVCVGA-UHFFFAOYSA-N", "inchikey2D": "FQEMSQQCAVCVGA", "names": [ "6-{7-hydroxy-6,6,10,14,18-pentamethyl-13,17-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O7", "smiles": "CC(=CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C1(C)C(=O)C=C1C3(C)CCC(O)C(C)(C)C3CC3OC132", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0197426" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "LGUSPANGDRNOOV-GCCQGBQGSA-N": { "inchikey": "LGUSPANGDRNOOV-GCCQGBQGSA-N", "inchikey2D": "LGUSPANGDRNOOV", "names": [ "12β-acetoxy-3,7,11,15,23-pentaoxolanost-8-en-26-oic acid butyl ester", "butyl (6r)-6-[(1r,3ar,5ar,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C36H50O9", "smiles": "CCCCOC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0197526", "npaid": "NPA013020" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FCRKCTMVNYZRSA-CXUHLZMHSA-N": { "inchikey": "FCRKCTMVNYZRSA-CXUHLZMHSA-N", "inchikey2D": "FCRKCTMVNYZRSA", "names": [ "5-(2,5-dihydroxyphenyl)-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-5-methoxyfuran-2-one", "Fornicin B" ], "molecular_formula": "C22H28O5", "smiles": "COC1(c2cc(O)ccc2O)C=C(CC/C=C(\\C)CCC=C(C)C)C(=O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0042281", "npaid": "NPA013669" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "WVYAVOPFSOYOIJ-DIQMLCJDSA-N": { "inchikey": "WVYAVOPFSOYOIJ-DIQMLCJDSA-N", "inchikey2D": "WVYAVOPFSOYOIJ", "names": [ "3β,7β,20,23ξ-tetrahydroxy-11,15-dioxolanosta-8-en-26-oic acid", "6-[(1r,3as,4r,5as,7r,9ar,11as)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4,6-dihydroxy-2-methylheptanoic acid" ], "molecular_formula": "C30H46O8", "smiles": "CC(CC(O)CC(C)(O)[C@@H]1CC(=O)[C@]2(C)C3=C(C(=O)C[C@@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C[C@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0061854", "npaid": "NPA009891" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "WWJFQSXVIHXIBB-XUPAHRBUSA-N": { "inchikey": "WWJFQSXVIHXIBB-XUPAHRBUSA-N", "inchikey2D": "WWJFQSXVIHXIBB", "names": [ "(3r,6r)-6-[(1r,3ar,5ar,7r,9as,11ar)-7-[(2-carboxyacetyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dimethyl-4-oxoheptanoic acid" ], "molecular_formula": "C34H52O7", "smiles": "CC(C(=O)O)[C@@H](C)C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0094503" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "KZVNZIIMDVYSNR-UHFFFAOYSA-N": { "inchikey": "KZVNZIIMDVYSNR-UHFFFAOYSA-N", "inchikey2D": "KZVNZIIMDVYSNR", "names": [ "methyl 4-{3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoate" ], "molecular_formula": "C28H42O6", "smiles": "COC(=O)CCC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0200692" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JZZMIFMLEGZFJO-WQXQYXSHSA-N": { "inchikey": "JZZMIFMLEGZFJO-WQXQYXSHSA-N", "inchikey2D": "JZZMIFMLEGZFJO", "names": [ "(4s)-4-[(1s,3ar,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxypentanoic acid" ], "molecular_formula": "C29H40O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@@](C)(O)CCC(=O)O)[C@@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0171657" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QNPQAWMNRANZDV-MAZHCROVSA-N": { "inchikey": "QNPQAWMNRANZDV-MAZHCROVSA-N", "inchikey2D": "QNPQAWMNRANZDV", "names": [ "(-)-applanatumol I", "(3ar,4s,6as)-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-1-oxo-tetrahydrocyclopenta[c]furan-3a-carboxylic acid" ], "molecular_formula": "C16H16O8", "smiles": "O=C(C[C@@]12CC[C@H](O)[C@]1(C(=O)O)COC2=O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0042032", "npaid": "NPA009960" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "KGELVXQPIUKGCO-UHFFFAOYSA-N": { "inchikey": "KGELVXQPIUKGCO-UHFFFAOYSA-N", "inchikey2D": "KGELVXQPIUKGCO", "names": [ "6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H48O3", "smiles": "CC(=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0041960" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DYPIHYCSZZORMA-ZVVXJMBHSA-N": { "inchikey": "DYPIHYCSZZORMA-ZVVXJMBHSA-N", "inchikey2D": "DYPIHYCSZZORMA", "names": [ "6-hydroxy-6-[(1r,3r,5r,10s,14r,17r,18s)-17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-2-methyl-4-oxoheptanoic acid", "Applanoxidic acid G" ], "molecular_formula": "C30H40O8", "smiles": "CC(CC(=O)CC(C)(O)C1=C[C@@H](O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0034297", "npaid": "NPA012472" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "GEKHMMSACYDGPN-ODXCNMBOSA-N": { "inchikey": "GEKHMMSACYDGPN-ODXCNMBOSA-N", "inchikey2D": "GEKHMMSACYDGPN", "names": [ "Butyl lucidenate E2", "butyl (4r)-4-[(1r,3ar,7s,9as,11s,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C33H48O8", "smiles": "CCCCOC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0179829", "npaid": "NPA009727" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AOXXVRDKZLRGTJ-NDHWYNBKSA-N": { "inchikey": "AOXXVRDKZLRGTJ-NDHWYNBKSA-N", "inchikey2D": "AOXXVRDKZLRGTJ", "names": [ "(3ar,5ar,9as,11ar)-1-(7-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C30H48O2", "smiles": "CC(=CCCC(C)C1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(O)CC[C@]4(C)C3=CC[C@]12C)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0043828" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NXZJPJLQVAKBTH-KGEHITQBSA-N": { "inchikey": "NXZJPJLQVAKBTH-KGEHITQBSA-N", "inchikey2D": "NXZJPJLQVAKBTH", "names": [ "(2e,6r)-6-[(1r,3s,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H48O5", "smiles": "CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(\\C)C(=O)O)C[C@H](O)[C@@]4(C)C3=CC[C@H]2C1(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0183574" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PXYOBXAVEVGYNT-UHFFFAOYSA-N": { "inchikey": "PXYOBXAVEVGYNT-UHFFFAOYSA-N", "inchikey2D": "PXYOBXAVEVGYNT", "names": [ "4-hydroxy-9,19,19-trimethyl-8,18-dioxapentacyclo[10.5.2.0¹,¹³.0²,⁷.0⁹,¹³]nonadeca-2,4,6,16-tetraene-16-carbaldehyde" ], "molecular_formula": "C21H24O4", "smiles": "CC1(C)OC23C=C(C=O)CCC24C1CCC4(C)Oc1ccc(O)cc13", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0112668" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "QXXQSVUNSUCVFA-GDBMZVCRSA-N": { "inchikey": "QXXQSVUNSUCVFA-GDBMZVCRSA-N", "inchikey2D": "QXXQSVUNSUCVFA", "names": [ "(+)-chizhine C", "(3r,6r)-3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3-hydroxy-6-(prop-1-en-2-yl)oxan-2-one" ], "molecular_formula": "C16H18O6", "smiles": "C=C(C)[C@H]1CC[C@@](O)(CC(=O)c2cc(O)ccc2O)C(=O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0111874", "npaid": "NPA008883" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DYOKDAQBNHPJFD-DZYPIXIESA-N": { "inchikey": "DYOKDAQBNHPJFD-DZYPIXIESA-N", "inchikey2D": "DYOKDAQBNHPJFD", "names": [ "(2r,6s)-6-[(1r,3s,3ar,4s,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O7", "smiles": "C[C@@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0030340" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WRYLYDPHFGVWKC-JTQLQIEISA-N": { "inchikey": "WRYLYDPHFGVWKC-JTQLQIEISA-N", "inchikey2D": "WRYLYDPHFGVWKC", "names": [ "(-)-4-terpineol" ], "molecular_formula": "C10H18O", "smiles": "CC1=CC[C@@](O)(C(C)C)CC1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0111954" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YKLCOIFQEOWKNT-UHFFFAOYSA-N": { "inchikey": "YKLCOIFQEOWKNT-UHFFFAOYSA-N", "inchikey2D": "YKLCOIFQEOWKNT", "names": [ "10-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-1-(2,5-dihydroxyphenyl)-6,7-dihydroxy-3-(9-hydroxy-4,8-dimethylnona-3,7-dien-1-yl)-6-methylundec-2-ene-1,4-dione" ], "molecular_formula": "C51H72O8", "smiles": "CC(=CCCC(C)=CCCC(=CC(=O)c1cc(O)ccc1O)C(=O)CC(C)(O)C(O)CCC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0096838" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "AECSEKNULZXYNZ-UDRNGZKNSA-N": { "inchikey": "AECSEKNULZXYNZ-UDRNGZKNSA-N", "inchikey2D": "AECSEKNULZXYNZ", "names": [ "(2e,5s,6s)-6-[(1r,3s,3ar,4r,5ar,7r,9as,11ar)-3,7-bis(acetyloxy)-4-ethoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C38H58O9", "smiles": "CCO[C@@H]1C[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)[C@H](C/C=C(\\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0186295" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VYQCXVOCHCSVIL-UHFFFAOYSA-N": { "inchikey": "VYQCXVOCHCSVIL-UHFFFAOYSA-N", "inchikey2D": "VYQCXVOCHCSVIL", "names": [ "4-hydroxy-3a,6,6,9a,11a-pentamethyl-1-(6-methyl-4-oxohept-2-en-2-yl)-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-3,7,10-trione" ], "molecular_formula": "C30H42O5", "smiles": "CC(=CC(=O)CC(C)C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0056723" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "BXIVNEDAKFDOSD-UHFFFAOYSA-N": { "inchikey": "BXIVNEDAKFDOSD-UHFFFAOYSA-N", "inchikey2D": "BXIVNEDAKFDOSD", "names": [ "6-[4-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O6", "smiles": "CC(=CCCC(C)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(CO)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0055465" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "CBIUBTXMBZHHAC-DOIHQTOASA-N": { "inchikey": "CBIUBTXMBZHHAC-DOIHQTOASA-N", "inchikey2D": "CBIUBTXMBZHHAC", "names": [ "(1s,3s,3'r,3as,4''s,5's,5ar,9as,11as)-3',3a,4'',6,6,9a,11a-heptamethyl-5'',7,10-trioxo-2,3,4,5,5a,8,9,11-octahydrodispiro[cyclopenta[a]phenanthrene-1,2':5',2''-bis(oxolane)]-3-yl acetate", "Spiroganocalitone C" ], "molecular_formula": "C32H44O7", "smiles": "CC(=O)O[C@H]1C[C@@]2(O[C@@]3(C[C@H](C)C(=O)O3)C[C@H]2C)[C@@]2(C)CC(=O)C3=C(CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0046271", "npaid": "NPA023615" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "XRXBNTYHQXKSAO-WMXPBUEWSA-N": { "inchikey": "XRXBNTYHQXKSAO-WMXPBUEWSA-N", "inchikey2D": "XRXBNTYHQXKSAO", "names": [ "(6s)-6-[(1s,3as,9ar,11as)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O6", "smiles": "CC(CC(=O)C[C@H](C)[C@@H]1CC(O)[C@]2(C)C3=C(C(=O)C[C@@]12C)[C@]1(C)CCC(=O)C(C)(C)C1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0193359" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MRSZGSBZFGVHFC-UHFFFAOYSA-N": { "inchikey": "MRSZGSBZFGVHFC-UHFFFAOYSA-N", "inchikey2D": "MRSZGSBZFGVHFC", "names": [ "triethyl({[4-(3-phenylbutan-2-yl)phenyl]methyl})azanium" ], "molecular_formula": "[C23H34N]+", "smiles": "CC[N+](CC)(CC)Cc1ccc(C(C)C(C)c2ccccc2)cc1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0109663" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LMCIRPXPVHLDCR-KYRIWECLSA-N": { "inchikey": "LMCIRPXPVHLDCR-KYRIWECLSA-N", "inchikey2D": "LMCIRPXPVHLDCR", "names": [ "(1s,3ar,5ar,9as,11s,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2s)-2-methyl-5-oxooxolan-2-yl]-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-11-yl acetate", "Ganoderlactone C" ], "molecular_formula": "C29H36O8", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@]3(C)CCC(=O)O3)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0096925", "npaid": "NPA007379" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "IEDDICKFTXIWIP-UHFFFAOYSA-N": { "inchikey": "IEDDICKFTXIWIP-UHFFFAOYSA-N", "inchikey2D": "IEDDICKFTXIWIP", "names": [ "6-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohexanoic acid" ], "molecular_formula": "C29H40O7", "smiles": "CC(CC(=O)CCC1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0194132" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YIPMXAHKTHCEPU-UHFFFAOYSA-N": { "inchikey": "YIPMXAHKTHCEPU-UHFFFAOYSA-N", "inchikey2D": "YIPMXAHKTHCEPU", "names": [ "3a,6,6,9a,11a-pentamethyl-1-(6-methyl-7-oxohept-5-en-2-yl)-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl formate" ], 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"INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "MDGUMDPUTGUZOX-OCRCKMLUSA-N": { "inchikey": "MDGUMDPUTGUZOX-OCRCKMLUSA-N", "inchikey2D": "MDGUMDPUTGUZOX", "names": [ "3β,7β-dihydroxy-12β-acetoxy-11,15,23-trioxo-5α-lanost-8-en-26-oic acid methyl ester", "methyl (6r)-6-[(1r,3ar,4s,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C33H48O9", "smiles": "COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0185051", "npaid": "NPA001248" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ASPCIAWQVXVATP-VWXYMJEFSA-N": { "inchikey": "ASPCIAWQVXVATP-VWXYMJEFSA-N", "inchikey2D": "ASPCIAWQVXVATP", "names": [ "Lucidenic acid E", "lucidenic acid e" ], "molecular_formula": "C29H40O8", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@H](C)CCC(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0113988", "npaid": "NPA029051" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DGDZKQQCSYXYAZ-UHFFFAOYSA-N": { "inchikey": "DGDZKQQCSYXYAZ-UHFFFAOYSA-N", "inchikey2D": "DGDZKQQCSYXYAZ", "names": [ "butyl 4-[11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], 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"NPAtlas" ], "external_ids": { "lotus_id": "LTS0117983", "npaid": "NPA001594" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RXLRLJSRXDHQCH-DPJQNPJFSA-N": { "inchikey": "RXLRLJSRXDHQCH-DPJQNPJFSA-N", "inchikey2D": "RXLRLJSRXDHQCH", "names": [ "(2e,5s,6r)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O6", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0201754" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, 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"INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FFHZCNIREJAVOS-UHFFFAOYSA-N": { "inchikey": "FFHZCNIREJAVOS-UHFFFAOYSA-N", "inchikey2D": "FFHZCNIREJAVOS", "names": [ "6-[3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H52O6", "smiles": "CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)C(OC(C)=O)CC(C(C)CCC=C(C)C(=O)O)C1(C)CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0022404" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CUSAEAZTYDVKLC-GONBZBRSSA-N": { "inchikey": "CUSAEAZTYDVKLC-GONBZBRSSA-N", "inchikey2D": "CUSAEAZTYDVKLC", "names": [ "5-(2,5-dihydroxyphenyl)-5-ethoxy-3-[(3e,7e)-9-hydroxy-4,8-dimethylnona-3,7-dien-1-yl]furan-2-one", "Australeol F" ], "molecular_formula": "C23H30O6", "smiles": "CCOC1(c2cc(O)ccc2O)C=C(CC/C=C(\\C)CC/C=C(\\C)CO)C(=O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0107951", "npaid": "NPA026946" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "GBFBBVYGZAABTI-YKJQFONZSA-N": { "inchikey": "GBFBBVYGZAABTI-YKJQFONZSA-N", "inchikey2D": "GBFBBVYGZAABTI", "names": [ "methyl (2r,6r)-6-[(1r,3s,3ar,4s,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O7", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0057413" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VVXZWUASDACSNQ-UHFFFAOYSA-N": { "inchikey": "VVXZWUASDACSNQ-UHFFFAOYSA-N", "inchikey2D": "VVXZWUASDACSNQ", "names": [ "2-methyl-4-oxo-6-{3,4,7-trihydroxy-6,6,9a,11a-tetramethyl-10-oxo-1h,2h,3h,3ah,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}heptanoic acid" ], "molecular_formula": "C29H44O7", "smiles": "CC(CC(=O)CC(C)C1CC(O)C2C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0039162" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "BTYTWXWAFWKSTA-BIGSUGRTSA-N": { "inchikey": "BTYTWXWAFWKSTA-BIGSUGRTSA-N", "inchikey2D": "BTYTWXWAFWKSTA", "names": [ "(2r,6r)-6-[(1r,3ar,5ar,7s,9as,11s,11ar)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O8", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0040650" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WVYAVOPFSOYOIJ-PPIHWMGKSA-N": { "inchikey": "WVYAVOPFSOYOIJ-PPIHWMGKSA-N", "inchikey2D": "WVYAVOPFSOYOIJ", "names": [ "(2s,4s,6r)-6-[(1r,3as,4r,5as,7r,9ar,11as)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4,6-dihydroxy-2-methylheptanoic acid" ], "molecular_formula": "C30H46O8", "smiles": "C[C@@H](C[C@H](O)C[C@@](C)(O)[C@@H]1CC(=O)[C@]2(C)C3=C(C(=O)C[C@@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C[C@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0119580" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "GBKMIRBAGUEDOI-FWAYRLMKSA-N": { "inchikey": "GBKMIRBAGUEDOI-FWAYRLMKSA-N", "inchikey2D": "GBKMIRBAGUEDOI", "names": [ "(2s)-2-[(4e)-5,9-dimethyldeca-4,8-dien-1-yl]-2,5-dihydroxy-1-benzofuran-3-one", "Cochlearol I" ], "molecular_formula": "C20H26O4", "smiles": "CC(C)=CCC/C(C)=C/CCC[C@]1(O)Oc2ccc(O)cc2C1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0059352", "npaid": "NPA026910" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "SAZFHNNKAYSDKP-LOHDOYQRSA-N": { "inchikey": "SAZFHNNKAYSDKP-LOHDOYQRSA-N", "inchikey2D": "SAZFHNNKAYSDKP", "names": [ "(2e,6r)-6-[(1r,3ar,5ar,9as,10s,11ar)-10-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "11β-hydroxy-3,7-dioxo-5α-lanosta-8,24(E)-dien-26-oic acid" ], "molecular_formula": "C30H44O5", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C([C@@H](O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0119883", "npaid": "NPA007864" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RJBCIJBIKBHZMX-MGAAYXLPSA-N": { "inchikey": "RJBCIJBIKBHZMX-MGAAYXLPSA-N", "inchikey2D": "RJBCIJBIKBHZMX", "names": [ "tsugarioside c" ], "molecular_formula": "C38H58O8", "smiles": "C=C(C)/C(C)=C\\C[C@@H](C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0189313" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "GJQZFCVSLJUBME-HHWDXLTFSA-N": { "inchikey": "GJQZFCVSLJUBME-HHWDXLTFSA-N", "inchikey2D": "GJQZFCVSLJUBME", "names": [ "(2e,4e)-6-[(2z)-5-hydroxy-3-oxo-1-benzofuran-2-ylidene]-2-methylhexa-2,4-dienal", "Cochlearin F" ], "molecular_formula": "C15H12O4", "smiles": "C/C(C=O)=C\\C=C\\C=C1/Oc2ccc(O)cc2C1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0057537", "npaid": "NPA028161" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "MHJXWOKOCVEOMZ-AJCXZUJNSA-N": { "inchikey": "MHJXWOKOCVEOMZ-AJCXZUJNSA-N", "inchikey2D": "MHJXWOKOCVEOMZ", "names": [ "12β-acetoxy-3β,28-dihydroxy-7,11,15,23-tetraoxo-5α-lanosta-8-en-26-oic acid", "6-[(1r,3ar,5ar,6r,7s,9as,11s,11ar)-11-(acetyloxy)-7-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H44O10", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@@H]3[C@]2(C)CC[C@H](O)[C@@]3(C)CO)[C@]2(C)C(=O)C[C@H](C(C)CC(=O)CC(C)C(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0021924", "npaid": "NPA026273" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZLVLCRKVGRDRDF-UHFFFAOYSA-N": { "inchikey": "ZLVLCRKVGRDRDF-UHFFFAOYSA-N", "inchikey2D": "ZLVLCRKVGRDRDF", "names": [ "2-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C28H44O", "smiles": "CC(C)C(C)C=CC(C)C1CC2C3=CCC4CC(=O)CCC4(C)C3CCC2(C)C1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0104272" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "AXGVFLQALSABLQ-OTVCUZDGSA-N": { "inchikey": "AXGVFLQALSABLQ-OTVCUZDGSA-N", "inchikey2D": "AXGVFLQALSABLQ", "names": [ "(2e,6r)-6-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-methylhept-2-enedioic acid", "Applanatumol T" ], "molecular_formula": "C16H18O7", "smiles": "C/C(=C\\CC[C@H](CC(=O)c1cc(O)ccc1O)C(=O)O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0118456", "npaid": "NPA003517" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "FOKGULQDAMDMHZ-VTOTWIFMSA-N": { "inchikey": "FOKGULQDAMDMHZ-VTOTWIFMSA-N", "inchikey2D": "FOKGULQDAMDMHZ", "names": [ "(2s,5e)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid", "Gibbosic acid L" ], "molecular_formula": "C30H40O6", "smiles": "C/C(=C\\C(=O)C[C@H](C)C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C=C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0173377", "npaid": "NPA025426" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "JTEXACAUXDMYDF-UHFFFAOYSA-N": { "inchikey": "JTEXACAUXDMYDF-UHFFFAOYSA-N", "inchikey2D": "JTEXACAUXDMYDF", "names": [ "4-{3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}pentanoic acid" ], "molecular_formula": "C27H40O4", "smiles": "CC(CCC(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0048457" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JDJYGTTUJIPOEF-QTJNJRLBSA-N": { "inchikey": "JDJYGTTUJIPOEF-QTJNJRLBSA-N", "inchikey2D": "JDJYGTTUJIPOEF", "names": [ "(2z)-4-(2,5-dihydroxyphenyl)-2-{2-[(5r)-5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]ethyl}-4-oxobut-2-enoic acid", "Cochlearol H" ], "molecular_formula": "C21H26O6", "smiles": "CC1=C(CC/C(=C/C(=O)c2cc(O)ccc2O)C(=O)O)C(C)(C)[C@H](O)CC1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0050557", "npaid": "NPA026909" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "NOXQLVJQLGRLCH-IEDMCEMRSA-N": { "inchikey": "NOXQLVJQLGRLCH-IEDMCEMRSA-N", "inchikey2D": "NOXQLVJQLGRLCH", "names": [ "(1r,3ar,5ar,7r,9as,11ar)-1-[(2r)-1-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C30H50O2", "smiles": "CC(C)=CCC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0196890" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "LZUGLYPIDYYQJP-YEMLILIISA-N": { "inchikey": "LZUGLYPIDYYQJP-YEMLILIISA-N", "inchikey2D": "LZUGLYPIDYYQJP", "names": [ "(2r,6s)-6-hydroxy-2-methyl-4-oxo-6-[(1r,3r,5s,10s,14r,18r)-6,6,10,14,18-pentamethyl-7,13,17-trioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]heptanoic acid" ], "molecular_formula": "C30H38O8", "smiles": "C[C@H](CC(=O)C[C@](C)(O)C1=CC(=O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CCC(=O)C(C)(C)[C@H]3C[C@H]3O[C@@]132)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0019136" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "XHAIZAIMQFIIRF-UHFFFAOYSA-N": { "inchikey": "XHAIZAIMQFIIRF-UHFFFAOYSA-N", "inchikey2D": "XHAIZAIMQFIIRF", "names": [ "methyl 5-hydroxy-3-oxo-5'-(3-oxoprop-1-en-2-yl)spiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylate" ], "molecular_formula": "C17H16O6", "smiles": "C=C(C=O)C1CCC(C(=O)OC)C12Oc1ccc(O)cc1C2=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0058432" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "GWCYTRLXOGOLBZ-UHFFFAOYSA-N": { "inchikey": "GWCYTRLXOGOLBZ-UHFFFAOYSA-N", "inchikey2D": "GWCYTRLXOGOLBZ", "names": [ "methyl 4-[11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C30H42O8", "smiles": "COC(=O)CCC(C)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0188901" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XIMQDJNNBMWDIH-YAQOJFSYSA-N": { "inchikey": "XIMQDJNNBMWDIH-YAQOJFSYSA-N", "inchikey2D": "XIMQDJNNBMWDIH", "names": [ "(4r)-4-[(1r,3ar,4s,5ar,7s,9as,11s,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H40O7", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0110200" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OJQDQVKLMQPWJL-CZCMAUKGSA-N": { "inchikey": "OJQDQVKLMQPWJL-CZCMAUKGSA-N", "inchikey2D": "OJQDQVKLMQPWJL", "names": [ "(6s)-6-[(3ar,4s,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid", "Resinacein H" ], "molecular_formula": "C30H42O8", "smiles": "CC(CC(=O)C[C@](C)(O)C1=CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0051676", "npaid": "NPA023682" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "GTYYBTOUBKQAKH-OEWBXQMQSA-N": { "inchikey": "GTYYBTOUBKQAKH-OEWBXQMQSA-N", "inchikey2D": "GTYYBTOUBKQAKH", "names": [ "4-[(1r,3s,3ar,4s,5ar,6r,7s,9as,11ar)-3,4,7-trihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pent-4-enoic acid", "Lucidenic acid O" ], "molecular_formula": "C27H40O7", "smiles": "C=C(CCC(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0022770", "npaid": "NPA009355" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UDTACTJGELZAGR-WCIBSUBMSA-N": { "inchikey": "UDTACTJGELZAGR-WCIBSUBMSA-N", "inchikey2D": "UDTACTJGELZAGR", "names": [ "5-(2,5-dihydroxyphenyl)-3-[(3z)-5-hydroxy-4-methylpent-3-en-1-yl]-5-methoxyfuran-2-one", "Cochlearol L" ], "molecular_formula": "C17H20O6", "smiles": "COC1(c2cc(O)ccc2O)C=C(CC/C=C(/C)CO)C(=O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0035626", "npaid": "NPA026904" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "MOFVVGMVATZKJM-UHFFFAOYSA-N": { "inchikey": "MOFVVGMVATZKJM-UHFFFAOYSA-N", "inchikey2D": "MOFVVGMVATZKJM", "names": [ "5-hydroxy-6'-(methoxycarbonyl)-3-oxospiro[1-benzofuran-2,1'-cycloheptane]-2'-carboxylic acid" ], "molecular_formula": "C17H18O7", "smiles": "COC(=O)C1CCCC(C(=O)O)C2(C1)Oc1ccc(O)cc1C2=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0035136" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "SQJBJGSQYVYNPM-LROVZANASA-N": { "inchikey": "SQJBJGSQYVYNPM-LROVZANASA-N", "inchikey2D": "SQJBJGSQYVYNPM", "names": [ "(1r,3s,3ar,4r,5ar,9as,11ar)-3-hydroxy-1-[(2r)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4-methoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one", "Ganoderiol I" ], "molecular_formula": "C31H50O5", "smiles": "CO[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](O)C[C@H]([C@H](C)CCC=C(CO)CO)[C@@]1(C)CC2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0191317", "npaid": "NPA012643" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GZVVHHXNPRBBSD-UHFFFAOYSA-N": { "inchikey": "GZVVHHXNPRBBSD-UHFFFAOYSA-N", "inchikey2D": "GZVVHHXNPRBBSD", "names": [ "1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2,4-dihydroxy-3-methylidenecyclohexane-1-carboxylic acid" ], "molecular_formula": "C16H18O7", "smiles": "C=C1C(O)CCC(CC(=O)c2cc(O)ccc2O)(C(=O)O)C1O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0024563" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "FQVBBEDMAXTBIY-RHXNVEANSA-N": { "inchikey": "FQVBBEDMAXTBIY-RHXNVEANSA-N", "inchikey2D": "FQVBBEDMAXTBIY", "names": [ "(1s,3s,3'r,3as,4''s,5's,5ar,9as,11as)-3-hydroxy-3',3a,4'',6,6,9a,11a-heptamethyl-2,3,4,5,5a,8,9,11-octahydrodispiro[cyclopenta[a]phenanthrene-1,2':5',2''-bis(oxolane)]-5'',7,10-trione", "Spiroganocalitone A" ], "molecular_formula": "C30H42O6", "smiles": "C[C@H]1C[C@]2(C[C@@H](C)[C@]3(C[C@H](O)[C@@]4(C)C5=C(C(=O)C[C@@]43C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC5)O2)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0104542", "npaid": "NPA023613" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "VFCVARJMDQZNKD-VXLYETTFSA-N": { "inchikey": "VFCVARJMDQZNKD-VXLYETTFSA-N", "inchikey2D": "VFCVARJMDQZNKD", "names": [ "(2e)-6-{3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H46O4", "smiles": "C/C(=C\\CCC(C)C1CC(O)C2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0191924" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BPJPBLZKOVIJQD-TWXQMTGASA-N": { "inchikey": "BPJPBLZKOVIJQD-TWXQMTGASA-N", "inchikey2D": "BPJPBLZKOVIJQD", "names": [ "(2r,6r)-6-[(1s,3ar,4s,5ar,7s,9ar,11s,11as)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O8", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0117708" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NNWFNIAYBDEVTF-NVXWUHKLSA-N": { "inchikey": "NNWFNIAYBDEVTF-NVXWUHKLSA-N", "inchikey2D": "NNWFNIAYBDEVTF", "names": [ "(-)-applanatumol P", "methyl (2r,5r)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(3-hydroxyprop-1-en-2-yl)oxolane-2-carboxylate" ], "molecular_formula": "C17H20O7", "smiles": "C=C(CO)[C@H]1CC[C@@](CC(=O)c2cc(O)ccc2O)(C(=O)OC)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0105761", "npaid": "NPA019564" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "QXXQSVUNSUCVFA-HOCLYGCPSA-N": { "inchikey": "QXXQSVUNSUCVFA-HOCLYGCPSA-N", "inchikey2D": "QXXQSVUNSUCVFA", "names": [ "(-)-chizhine C", "(3s,6s)-3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3-hydroxy-6-(prop-1-en-2-yl)oxan-2-one" ], "molecular_formula": "C16H18O6", "smiles": "C=C(C)[C@@H]1CC[C@](O)(CC(=O)c2cc(O)ccc2O)C(=O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0190192", "npaid": "NPA008964" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CPFRWYYLAGWVEV-BAHOVLMYSA-N": { "inchikey": "CPFRWYYLAGWVEV-BAHOVLMYSA-N", "inchikey2D": "CPFRWYYLAGWVEV", "names": [ "(1r,3ar,5ar,9as,11ar)-1-[(2s,5e)-7-hydroxy-6-methyl-3-oxohept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H44O3", "smiles": "C/C(=C\\CC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0034648" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NCWPXHMUBMRCHV-UHFFFAOYSA-N": { "inchikey": "NCWPXHMUBMRCHV-UHFFFAOYSA-N", "inchikey2D": "NCWPXHMUBMRCHV", "names": [ "3-hydroxy-1-[7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-7,10-dione" ], "molecular_formula": "C30H46O5", "smiles": "CC(CCC=C(CO)CO)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0088362" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "IPHISYDAYNYHSC-GAZLMKCGSA-N": { "inchikey": "IPHISYDAYNYHSC-GAZLMKCGSA-N", "inchikey2D": "IPHISYDAYNYHSC", "names": [ "(2r,5r)-2-[(1r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-hydroxy-6-methylhept-6-enoic acid", "Tsugaric acid C" ], "molecular_formula": "C32H50O5", "smiles": "C=C(C)[C@H](O)CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0018609", "npaid": "NPA011830" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "VFCVARJMDQZNKD-UHFFFAOYSA-N": { "inchikey": "VFCVARJMDQZNKD-UHFFFAOYSA-N", "inchikey2D": "VFCVARJMDQZNKD", "names": [ "6-{3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H46O4", "smiles": "CC(=CCCC(C)C1CC(O)C2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0035619" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KCQYWDVUFDEZQI-COPGIBNOSA-N": { "inchikey": "KCQYWDVUFDEZQI-COPGIBNOSA-N", "inchikey2D": 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"(2s,6r)-6-[(1s,3ar,4s,5ar,7s,9ar,11as)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O8", "smiles": "C[C@@H](CC(=O)C[C@@](C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0105432" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HZSSXIBJQNNCMO-PMVBBLLTSA-N": { "inchikey": "HZSSXIBJQNNCMO-PMVBBLLTSA-N", "inchikey2D": "HZSSXIBJQNNCMO", "names": [ "methyl (2r,6s)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O6", "smiles": 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"INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OVLBITNHMRRIBT-ZOLOLERXSA-N": { "inchikey": "OVLBITNHMRRIBT-ZOLOLERXSA-N", "inchikey2D": "OVLBITNHMRRIBT", "names": [ "(2r,4s,6r)-6-[(1r,3s,3ar,4r,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylheptanoic acid" ], "molecular_formula": "C30H46O7", "smiles": "C[C@H](C[C@@H](O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0157836" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LIIFBMGUDSHTOU-CFYIDONUSA-N": { "inchikey": "LIIFBMGUDSHTOU-CFYIDONUSA-N", "inchikey2D": "LIIFBMGUDSHTOU", "names": [ 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"npaid": "NPA008121" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "VYQCXVOCHCSVIL-SPDJFYLWSA-N": { "inchikey": "VYQCXVOCHCSVIL-SPDJFYLWSA-N", "inchikey2D": "VYQCXVOCHCSVIL", "names": [ "(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2e)-6-methyl-4-oxohept-2-en-2-yl]-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-3,7,10-trione" ], "molecular_formula": "C30H42O5", "smiles": "C/C(=C\\C(=O)CC(C)C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0186782" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "SIAPIMNTTQNPND-INMUPGFOSA-N": { "inchikey": "SIAPIMNTTQNPND-INMUPGFOSA-N", "inchikey2D": "SIAPIMNTTQNPND", "names": [ 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"INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Wolfiporia==Wolfiporia" ] }, "AEGNCAKBVAFGLE-BVXMOGEKSA-N": { "inchikey": "AEGNCAKBVAFGLE-BVXMOGEKSA-N", "inchikey2D": "AEGNCAKBVAFGLE", "names": [ "(2e,5e)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6,10-dimethylundeca-2,5,9-trienoic acid", "Australeol D" ], "molecular_formula": "C21H26O5", "smiles": "CC(C)=CCC/C(C)=C/C/C=C(\\CC(=O)c1cc(O)ccc1O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0131182", "npaid": "NPA026950" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "YIPMXAHKTHCEPU-UMLVKMKYSA-N": { "inchikey": "YIPMXAHKTHCEPU-UMLVKMKYSA-N", "inchikey2D": "YIPMXAHKTHCEPU", "names": [ "(+)-(5α,24E)-3β-acetoxyllanosta-8,24-dien-7-oxo-26-AL", 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"[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0182892", "npaid": "NPA022136" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "CDOSHBSSFJOMGT-SNVBAGLBSA-N": { "inchikey": "CDOSHBSSFJOMGT-SNVBAGLBSA-N", "inchikey2D": "CDOSHBSSFJOMGT", "names": [ "(+)-linalool" ], "molecular_formula": "C10H18O", "smiles": "C=C[C@@](C)(O)CCC=C(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0196043" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SSISLAMFCZQHEH-YBFXNURJSA-N": { "inchikey": "SSISLAMFCZQHEH-YBFXNURJSA-N", "inchikey2D": "SSISLAMFCZQHEH", "names": [ "(2e)-5-(acetyloxy)-6-[7-(acetyloxy)-3-hydroxy-4-methoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C35H54O8", "smiles": "COC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)C(O)CC(C(C)C(C/C=C(\\C)C(=O)O)OC(C)=O)C1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0126200" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OYHQOLUKZRVURQ-IXWMQOLASA-N": { "inchikey": "OYHQOLUKZRVURQ-IXWMQOLASA-N", "inchikey2D": "OYHQOLUKZRVURQ", "names": [ "10-trans,12-cis-linoleic acid" ], "molecular_formula": "C18H32O2", "smiles": "CCCCC/C=C\\C/C=C/CCCCCCCC(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0266267" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VAEJXEVKHVVLMH-TXIVJNIMSA-N": { "inchikey": "VAEJXEVKHVVLMH-TXIVJNIMSA-N", "inchikey2D": "VAEJXEVKHVVLMH", "names": [ "(2s,3s,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dihydroxy-2-methylheptyl (2z,5e,9e)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoate" ], "molecular_formula": "C51H72O9", "smiles": "C/C(=C\\CC/C(C)=C/CC/C(=C/C(=O)c1cc(O)ccc1O)C(=O)OC[C@](C)(O)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0148568" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "OEHYQHPDUCRLMW-ZRYRBGCSSA-N": { "inchikey": "OEHYQHPDUCRLMW-ZRYRBGCSSA-N", "inchikey2D": "OEHYQHPDUCRLMW", "names": [ "(2r,6r)-6-[(1s,3ar,4s,5ar,7s,9as,11s,11as)-11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H46O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C([C@@H](O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@@H]([C@H](C)CC(=O)C[C@@H](C)C(=O)O)[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0267875" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AKGNVAXELNDUHN-UHFFFAOYSA-N": { "inchikey": "AKGNVAXELNDUHN-UHFFFAOYSA-N", "inchikey2D": "AKGNVAXELNDUHN", "names": [ "6-[7-(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H46O8", "smiles": "CC(=O)OC1CCC2(C)C3=C(C(O)CC2C1(C)C)C1(C)C(=O)CC(C(C)CC(=O)CC(C)C(=O)O)C1(C)CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0135484" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WDHSPNBFMNVXFL-UMLVKMKYSA-N": { "inchikey": "WDHSPNBFMNVXFL-UMLVKMKYSA-N", "inchikey2D": "WDHSPNBFMNVXFL", "names": [ "(+)-(5α,24E)-3β-acetoxyl-26-hydroxylanosta-8,24-dien-7-one", "(1r,3ar,5ar,7s,9as,11ar)-1-[(2r,5e)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl formate" ], "molecular_formula": "C31H48O4", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC=O)C(C)(C)[C@@H]1CC3=O)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0205654", "npaid": "NPA023766" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "YQOMGYYSWFJSPK-CYBMUJFWSA-N": { "inchikey": "YQOMGYYSWFJSPK-CYBMUJFWSA-N", "inchikey2D": "YQOMGYYSWFJSPK", "names": [ "(+)-ganoapplanatumine A", "2-[(5r)-5-hydroxy-4-methyl-5h,6h,7h-cyclopenta[c]pyridin-1-yl]benzene-1,4-diol" ], "molecular_formula": "C15H15NO3", "smiles": "Cc1cnc(-c2cc(O)ccc2O)c2c1[C@H](O)CC2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0274620", "npaid": "NPA006794" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "NXZJPJLQVAKBTH-FKJOTFDOSA-N": { "inchikey": "NXZJPJLQVAKBTH-FKJOTFDOSA-N", "inchikey2D": "NXZJPJLQVAKBTH", "names": [ "(2e,6r)-6-[(1r,3s,3ar,5ar,7s,9as,11ar)-7-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H48O5", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(\\C)C(=O)O)C[C@H](O)[C@@]4(C)C3=CC[C@H]2C1(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0182782" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LJDYIANNVNRBHB-DAACNWGDSA-N": { "inchikey": "LJDYIANNVNRBHB-DAACNWGDSA-N", "inchikey2D": "LJDYIANNVNRBHB", "names": [ "(6r)-6-[(1r,3ar,5ar,7r,9as,11ar)-7-[(2-carboxyacetyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylidene-4-oxoheptanoic acid" ], "molecular_formula": "C34H50O7", "smiles": "C=C(C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3)C(C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0271327" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "GMHGOWUWKOOSRY-NHDANXDOSA-N": { "inchikey": "GMHGOWUWKOOSRY-NHDANXDOSA-N", "inchikey2D": "GMHGOWUWKOOSRY", "names": [ "6-[(1r,3r,5r,7s,10s,14r,15r,18r)-7-hydroxy-6,6,10,14,18-pentamethyl-13,17-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl]-2-methyl-4-oxoheptanoic acid", "Applanoxidic acid D" ], "molecular_formula": "C30H42O7", "smiles": "CC(CC(=O)CC(C)[C@H]1CC(=O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0130781", "npaid": "NPA004521" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "LDARGZHEYGQTJX-RYFQOAETSA-N": { "inchikey": "LDARGZHEYGQTJX-RYFQOAETSA-N", "inchikey2D": "LDARGZHEYGQTJX", "names": [ "(6r)-6-[(3r,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "3β,7β,15β-trihydroxy-11, 23-dioxo-lanost-8,16-dien-26-oic acid" ], "molecular_formula": "C30H44O7", "smiles": "CC(CC(=O)C[C@@H](C)C1=C[C@@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0275834", "npaid": "NPA016116" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "PFVUOICHJASGEX-PRZQFCORSA-N": { "inchikey": "PFVUOICHJASGEX-PRZQFCORSA-N", "inchikey2D": "PFVUOICHJASGEX", "names": [ "butyl (4r)-4-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C31H48O5", "smiles": "CCCCOC(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0199127" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MRFSMIRSXXECOJ-UTFQDXCBSA-N": { "inchikey": "MRFSMIRSXXECOJ-UTFQDXCBSA-N", "inchikey2D": "MRFSMIRSXXECOJ", "names": [ "Cochlearin I", "methyl (2z,5e)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-6,10-dimethylundeca-5,9-dienoate" ], "molecular_formula": "C22H28O5", "smiles": "COC(=O)/C(=C\\C(=O)c1cc(O)ccc1O)CC/C=C(\\C)CCC=C(C)C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0268111", "npaid": "NPA028164" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "ZPVSRUZKKCORTI-UHFFFAOYSA-N": { "inchikey": "ZPVSRUZKKCORTI-UHFFFAOYSA-N", "inchikey2D": "ZPVSRUZKKCORTI", "names": [ "methyl 6-{3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoate" ], "molecular_formula": "C31H44O7", "smiles": "COC(=O)C(C)CC(=O)C=C(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0129714" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "MFJVVAMIAWYEJH-RBUKOAKNSA-N": { "inchikey": "MFJVVAMIAWYEJH-RBUKOAKNSA-N", "inchikey2D": "MFJVVAMIAWYEJH", "names": [ "(3r,4r)-3-(2,5-dihydroxyphenyl)-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene-1-carbaldehyde", "(±)-cochlearin A" ], "molecular_formula": "C21H26O3", "smiles": "C=C(CCC=C(C)C)[C@@H]1CCC(C=O)=C[C@H]1c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0151384", "npaid": "NPA028156" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "KXYWXCIDKNDYTK-UHFFFAOYSA-N": { "inchikey": "KXYWXCIDKNDYTK-UHFFFAOYSA-N", "inchikey2D": "KXYWXCIDKNDYTK", "names": [ "methyl 6-[11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C33H46O9", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0181766" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YXVYBSGFMJBSQD-YDTNFRICSA-N": { "inchikey": "YXVYBSGFMJBSQD-YDTNFRICSA-N", "inchikey2D": "YXVYBSGFMJBSQD", "names": [ "(4r)-4-[(3r,3ar,6s,7s,9s,9br)-6-(2-carboxyethyl)-9-hydroxy-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]pentanoic acid", "Fornicatin B" ], "molecular_formula": "C27H40O6", "smiles": "C=C(C)[C@@H]1C[C@H](O)C2=C(C(=O)C[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0183135", "npaid": "NPA015995" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "VCYWIBJFGBKEAQ-GFCCVEGCSA-N": { "inchikey": "VCYWIBJFGBKEAQ-GFCCVEGCSA-N", "inchikey2D": "VCYWIBJFGBKEAQ", "names": [ "(1s)-3-ethyl-1-(2-methoxy-2-oxoethyl)cyclohex-2-ene-1-carboxylic acid", "(−)-petchioic A" ], "molecular_formula": "C12H18O4", "smiles": "CCC1=C[C@](CC(=O)OC)(C(=O)O)CCC1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0270001", "npaid": "NPA008626" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "XOGXJZJBJDUENN-DGQVCSGISA-N": { "inchikey": "XOGXJZJBJDUENN-DGQVCSGISA-N", "inchikey2D": "XOGXJZJBJDUENN", "names": [ "(2r,6r)-6-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-6,6,9a,11a-tetramethyl-3,7,10-trioxo-1h,2h,3ah,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C29H40O7", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0148507" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "GYRDSOABOBCYST-ZDOXHRKXSA-N": { "inchikey": "GYRDSOABOBCYST-ZDOXHRKXSA-N", "inchikey2D": "GYRDSOABOBCYST", "names": [ "(4s)-4-[(1r,3ar,4s,5ar,9as,11s,11ar)-4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H38O7", "smiles": "C[C@@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0148502" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "INIPQDKLXQHEAJ-RGGGUVNYSA-N": { "inchikey": "INIPQDKLXQHEAJ-RGGGUVNYSA-N", "inchikey2D": "INIPQDKLXQHEAJ", "names": [ "(4r)-4-[(1r,3ar,4s,5as,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H38O6", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0192248" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RMMGFHLTEHSSDK-UHFFFAOYSA-N": { "inchikey": "RMMGFHLTEHSSDK-UHFFFAOYSA-N", "inchikey2D": "RMMGFHLTEHSSDK", "names": [ "1-(acetyloxy)-6-[7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-hydroxy-2-methylheptan-3-yl acetate" ], "molecular_formula": "C36H56O7", "smiles": "CC(=O)OCC(C)(O)C(CCC(C)C1CCC2(C)C3=CCC4C(C)(CCC(OC(C)=O)C4(C)C)C3=CCC12C)OC(C)=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0126594" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "YBRPSINOXZSXPS-UHFFFAOYSA-N": { "inchikey": "YBRPSINOXZSXPS-UHFFFAOYSA-N", "inchikey2D": "YBRPSINOXZSXPS", "names": [ "6-{6-[(acetyloxy)methyl]-3-hydroxy-3a,6,9a,11a-tetramethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H46O8", "smiles": "CC(=O)OCC1(C)C(=O)CCC2(C)C3=C(C(=O)CC12)C1(C)C(O)CC(C(C)CC(=O)CC(C)C(=O)O)C1(C)CC3", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0177572" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "GRWFGVWFFZKLTI-UHFFFAOYSA-N": { "inchikey": "GRWFGVWFFZKLTI-UHFFFAOYSA-N", "inchikey2D": "GRWFGVWFFZKLTI", "names": [ "alpha-Pinene", "α pinene" ], "molecular_formula": "C10H16", "smiles": "CC1=CCC2CC1C2(C)C", "species": [ "Ganoderma lucidum", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Phallus" ], "source_dbs": [ "KNApSAcK", "LOTUS" ], "external_ids": { "lotus_id": "LTS0132416", "knapsack_cid": "C00000805" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Phallus==Phallus" ] }, "VFLFRNUNYMZADL-UHFFFAOYSA-N": { "inchikey": "VFLFRNUNYMZADL-UHFFFAOYSA-N", "inchikey2D": "VFLFRNUNYMZADL", "names": [ "4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-1-(3-methyl-5-oxooxolan-3-yl)-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthrene-3,10-dione" ], "molecular_formula": "C27H38O7", "smiles": "CC1(C2CC(=O)C3(C)C4=C(C(=O)C(O)C23C)C2(C)CCC(O)C(C)(C)C2CC4O)COC(=O)C1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0271142" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OCCKLFZPYIWUFJ-WBLDVHJPSA-N": { "inchikey": "OCCKLFZPYIWUFJ-WBLDVHJPSA-N", "inchikey2D": "OCCKLFZPYIWUFJ", "names": [ "(1s,3ar,4s,5ar,7s,9as,11s,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2s)-2-methyl-5-oxooxolan-2-yl]-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthrene-3,10-dione", "Ganoderlactone D" ], "molecular_formula": "C27H38O7", "smiles": "CC1(C)[C@@H](O)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)C(=O)C[C@H]([C@]2(C)CCC(=O)O2)[C@@]1(C)[C@H](O)C3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0123015", "npaid": "NPA017135" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VOSMLEIXNQUDNH-HUBLWGQQSA-N": { "inchikey": "VOSMLEIXNQUDNH-HUBLWGQQSA-N", "inchikey2D": "VOSMLEIXNQUDNH", "names": [ "(-)-applanatumol W", "methyl (1s,2s,3r)-2-(2,5-dihydroxybenzoyl)-3-(3-oxoprop-1-en-2-yl)cyclopentane-1-carboxylate" ], "molecular_formula": "C17H18O6", "smiles": "C=C(C=O)[C@@H]1CC[C@H](C(=O)OC)[C@H]1C(=O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0133435", "npaid": "NPA017542" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "MVAPDQHLSIGXSG-GPVBGDKDSA-N": { "inchikey": "MVAPDQHLSIGXSG-GPVBGDKDSA-N", "inchikey2D": "MVAPDQHLSIGXSG", "names": [ "(2e,6s)-6-[(3s,3ar,7s,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methylhept-2-enoic acid", "Resinacein C" ], "molecular_formula": "C30H46O6", "smiles": "C/C(=C\\CC[C@](C)(O)C1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0123783", "npaid": "NPA023677" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "UVKCTPQUWRXRPX-HFDOMTCZSA-N": { "inchikey": "UVKCTPQUWRXRPX-HFDOMTCZSA-N", "inchikey2D": "UVKCTPQUWRXRPX", "names": [ "methyl (6r)-6-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O7", "smiles": "COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0106092" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PUNXNTSNSVCCKV-UHFFFAOYSA-N": { "inchikey": "PUNXNTSNSVCCKV-UHFFFAOYSA-N", "inchikey2D": "PUNXNTSNSVCCKV", "names": [ "3a,6,6,9a,11a-pentamethyl-1-[1-(4-methyl-5-oxo-2h-furan-2-yl)propan-2-yl]-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione" ], "molecular_formula": "C30H42O4", "smiles": "CC1=CC(CC(C)C2CCC3(C)C4=C(CCC23C)C2(C)CCC(=O)C(C)(C)C2CC4=O)OC1=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0196645" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "VMVPNJFQQSEVKB-FVFRZQPSSA-N": { "inchikey": "VMVPNJFQQSEVKB-FVFRZQPSSA-N", "inchikey2D": "VMVPNJFQQSEVKB", "names": [ "(2e,5r,6s)-6-[(1r,3s,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H48O6", "smiles": "CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)[C@H](O)C/C=C(\\C)C(=O)O)C[C@H](O)[C@@]4(C)C3=CC[C@H]2C1(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0124712" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KZQCCTIIHZYRNR-SRCQZFHVSA-N": { "inchikey": "KZQCCTIIHZYRNR-SRCQZFHVSA-N", "inchikey2D": "KZQCCTIIHZYRNR", "names": [ "(-)-applanatumol L", "methyl (1r,2r,4r)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2,4-dihydroxy-3-methylidenecyclohexane-1-carboxylate" ], "molecular_formula": "C17H20O7", "smiles": "C=C1[C@H](O)CC[C@](CC(=O)c2cc(O)ccc2O)(C(=O)OC)[C@@H]1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0253759", "npaid": "NPA000420" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "PBRWVXAYDRQRGX-HPCMVBPFSA-N": { "inchikey": "PBRWVXAYDRQRGX-HPCMVBPFSA-N", "inchikey2D": "PBRWVXAYDRQRGX", "names": [ "(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-1-[(2r,5e)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one", "5α-lanosta-7,9(11),24-triene-15α,26-dihydroxy-3-one" ], "molecular_formula": "C30H46O3", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0205390", "npaid": "NPA019202" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZODRLJLUCBBQSJ-HHWLVVFRSA-N": { "inchikey": "ZODRLJLUCBBQSJ-HHWLVVFRSA-N", "inchikey2D": "ZODRLJLUCBBQSJ", "names": [ "(10e,13e)-octadeca-10,13-dienoic acid" ], "molecular_formula": "C18H32O2", "smiles": "CCCC/C=C/C/C=C/CCCCCCCCC(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0179757" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QMVWPQNCQKAQSJ-WSMNYACJSA-N": { "inchikey": "QMVWPQNCQKAQSJ-WSMNYACJSA-N", "inchikey2D": "QMVWPQNCQKAQSJ", "names": [ "Ganodernoid F", "methyl 6-[(1r,3ar,4s,5ar,7s,9as,11r,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoate" ], "molecular_formula": "C31H44O8", "smiles": "COC(=O)C(C)CC(=O)C=C(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0201600", "npaid": "NPA013047" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YYGLQGRXCIOCCM-DBNKAABZSA-N": { "inchikey": "YYGLQGRXCIOCCM-DBNKAABZSA-N", "inchikey2D": "YYGLQGRXCIOCCM", "names": [ "3β,7β‐di‐ hydroxy‐11,15,23‐trioxo‐lanost‐8,16‐dien‐26‐oic acid", "6-[(3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O7", "smiles": "CC(CC(=O)CC(C)C1=CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0134097", "npaid": "NPA011897" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QXAZRJVLUHRKJT-UHFFFAOYSA-N": { "inchikey": "QXAZRJVLUHRKJT-UHFFFAOYSA-N", "inchikey2D": "QXAZRJVLUHRKJT", "names": [ "6-{3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H40O8", "smiles": "CC(CC(=O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0177912" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AKGNVAXELNDUHN-WNCGRQAVSA-N": { "inchikey": "AKGNVAXELNDUHN-WNCGRQAVSA-N", "inchikey2D": "AKGNVAXELNDUHN", "names": [ "(6r)-6-[(1r,3ar,4s,5ar,7s,9as,11ar)-7-(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "3-O-acetylganoderic acid B" ], "molecular_formula": "C32H46O8", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@@H](O)C[C@H]2C1(C)C)[C@]1(C)C(=O)C[C@H]([C@H](C)CC(=O)CC(C)C(=O)O)[C@@]1(C)CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0196227", "npaid": "NPA006075" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NQFUSWIGRKFAHK-UHFFFAOYSA-N": { "inchikey": "NQFUSWIGRKFAHK-UHFFFAOYSA-N", "inchikey2D": "NQFUSWIGRKFAHK", "names": [ "α-pinene oxide" ], "molecular_formula": "C10H16O", "smiles": "CC1(C)C2CC3OC3(C)C1C2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0267200" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RDZRNUXQSVYSHW-UHFFFAOYSA-N": { "inchikey": "RDZRNUXQSVYSHW-UHFFFAOYSA-N", "inchikey2D": "RDZRNUXQSVYSHW", "names": [ "methyl 6-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O7", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0198545" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZXYSCJISDAKHPX-BENNFSQYSA-N": { "inchikey": "ZXYSCJISDAKHPX-BENNFSQYSA-N", "inchikey2D": "ZXYSCJISDAKHPX", "names": [ "methyl (4r)-4-[(1r,3ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate", "methyl lucidenate F" ], "molecular_formula": "C28H38O6", "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0191957", "npaid": "NPA018593" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SFQSUCWHIWDMMD-UHFFFAOYSA-N": { "inchikey": "SFQSUCWHIWDMMD-UHFFFAOYSA-N", "inchikey2D": "SFQSUCWHIWDMMD", "names": [ "4-hydroxy-2-methyl-6-{4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}hept-2-enoic acid" ], "molecular_formula": "C30H44O8", "smiles": "CC(=CC(O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0110011" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UMRPOGLIBDXFNK-ZYGITSNFSA-N": { "inchikey": "UMRPOGLIBDXFNK-ZYGITSNFSA-N", "inchikey2D": "UMRPOGLIBDXFNK", "names": [ "β-amyrin acetate" ], "molecular_formula": "C32H52O2", "smiles": "CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)C1(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0137234" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "JUPXTLOMXSPQGX-UHFFFAOYSA-N": { "inchikey": "JUPXTLOMXSPQGX-UHFFFAOYSA-N", "inchikey2D": "JUPXTLOMXSPQGX", "names": [ "6-{3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O7", "smiles": "CC(=CCCC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0126373" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "FFMHRFMHJKVBHE-OOLUJHIHSA-N": { "inchikey": "FFMHRFMHJKVBHE-OOLUJHIHSA-N", "inchikey2D": "FFMHRFMHJKVBHE", "names": [ "20-hydroxylucidenic acid P", "4-[(1s,3ar,4s,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxypentanoic acid" ], "molecular_formula": "C29H42O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C([C@@H](O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@H](C(C)(O)CCC(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0145868", "npaid": "NPA011831" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XGIKTGNVQMUAHS-MGJBOEJZSA-N": { "inchikey": "XGIKTGNVQMUAHS-MGJBOEJZSA-N", "inchikey2D": "XGIKTGNVQMUAHS", "names": [ "methyl (2r,6s)-6-[(1s,3ar,4s,5ar,9as,11r,11ar)-4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O9", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@](C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0174032" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SFQSUCWHIWDMMD-CTKNUVLNSA-N": { "inchikey": "SFQSUCWHIWDMMD-CTKNUVLNSA-N", "inchikey2D": "SFQSUCWHIWDMMD", "names": [ "(2e,4s,6r)-6-[(1r,3ar,4s,5ar,7s,9as,11s,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid", "Ganoderic acid η" ], "molecular_formula": "C30H44O8", "smiles": "C/C(=C\\[C@@H](O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0173127", "npaid": "NPA000576" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZJMBUNAZIDNVOV-KUDMQRJLSA-N": { "inchikey": "ZJMBUNAZIDNVOV-KUDMQRJLSA-N", "inchikey2D": "ZJMBUNAZIDNVOV", "names": [ "(+)-23-oxo-3,4-seco-lanosta-4(28),7(8),9(11),24(31)-tetraene-3,26-dicarboxylic acid", "(6r)-6-[(3r,3ar,6s,7r,9br)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h-cyclopenta[a]naphthalen-3-yl]-2-methyl-3-methylidene-4-oxoheptanoic acid" ], "molecular_formula": "C31H44O5", "smiles": "C=C(C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H](C(=C)C)[C@](C)(CCC(=O)O)C3=CC[C@]12C)C(C)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0171374", "npaid": "NPA000725" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HKMCVSPIUAVYSA-KNVHSINESA-N": { "inchikey": "HKMCVSPIUAVYSA-KNVHSINESA-N", "inchikey2D": "HKMCVSPIUAVYSA", "names": [ "methyl (2z,5e)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-10-(hydroxymethyl)-6-methylundeca-5,9-dienoate" ], "molecular_formula": "C22H28O7", "smiles": "COC(=O)/C(=C\\C(=O)c1cc(O)ccc1O)CC/C=C(\\C)CCC=C(CO)CO", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0266203" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "DDISIVDLQGVXCN-XIZGVELHSA-N": { "inchikey": "DDISIVDLQGVXCN-XIZGVELHSA-N", "inchikey2D": "DDISIVDLQGVXCN", "names": [ "(2s,5e)-6-[(1r,3r,3ar,5ar,9as,10r,11r,11ar)-3,10,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid", "Gibbosic acid J" ], "molecular_formula": "C30H42O8", "smiles": "C/C(=C\\C(=O)C[C@H](C)C(=O)O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C([C@@H](O)[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0125680", "npaid": "NPA025424" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "OOXMSJIUFKXBFG-RYTWZWMPSA-N": { "inchikey": "OOXMSJIUFKXBFG-RYTWZWMPSA-N", "inchikey2D": "OOXMSJIUFKXBFG", "names": [ "3-[(1s,3r,6r,7r,12s,13s)-6-[(2r)-5-methoxy-5-oxopentan-2-yl]-3,7-dimethyl-9-oxo-13-(prop-1-en-2-yl)-15-oxatetracyclo[10.2.1.0²,¹⁰.0³,⁷]pentadec-2(10)-en-12-yl]propanoic acid", "Cochlate A" ], "molecular_formula": "C28H40O6", "smiles": "C=C(C)[C@@H]1C[C@@H]2O[C@@]1(CCC(=O)O)CC1=C2[C@]2(C)CC[C@H]([C@H](C)CCC(=O)OC)[C@@]2(C)CC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0204047", "npaid": "NPA001132" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "GLUXWRYPXYKXKV-AGRHZJNESA-N": { "inchikey": "GLUXWRYPXYKXKV-AGRHZJNESA-N", "inchikey2D": "GLUXWRYPXYKXKV", "names": [ "(4r)-4-[(1r,3ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H36O6", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0196958" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DINWVVGAULGGQI-HSMVNMDESA-N": { "inchikey": "DINWVVGAULGGQI-HSMVNMDESA-N", "inchikey2D": "DINWVVGAULGGQI", "names": [ "(2s,2's,5'r)-5-hydroxy-3-oxo-5'-(3-oxoprop-1-en-2-yl)spiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylic acid", "Spiroapplanatumine N" ], "molecular_formula": "C16H14O6", "smiles": "C=C(C=O)[C@H]1CC[C@H](C(=O)O)[C@@]12Oc1ccc(O)cc1C2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0171117", "npaid": "NPA022132" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "AZPOACUDFJKUHJ-VSSMIISNSA-N": { "inchikey": "AZPOACUDFJKUHJ-VSSMIISNSA-N", "inchikey2D": "AZPOACUDFJKUHJ", "names": [ "(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-1-[(2s,5e)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one" ], "molecular_formula": "C30H48O3", "smiles": "C/C(=C\\CC[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0145086" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BPJPBLZKOVIJQD-ZNYIDBBUSA-N": { "inchikey": "BPJPBLZKOVIJQD-ZNYIDBBUSA-N", "inchikey2D": "BPJPBLZKOVIJQD", "names": [ "(2r,6r)-6-[(1r,3ar,4s,5ar,7s,9as,11s,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O8", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0139780" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SFQSUCWHIWDMMD-RVDMUPIBSA-N": { "inchikey": "SFQSUCWHIWDMMD-RVDMUPIBSA-N", "inchikey2D": "SFQSUCWHIWDMMD", "names": [ "(2e)-4-hydroxy-2-methyl-6-{4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}hept-2-enoic acid" ], "molecular_formula": "C30H44O8", "smiles": "C/C(=C\\C(O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0146051" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FXUVJKGSDBTXTJ-UHFFFAOYSA-N": { "inchikey": "FXUVJKGSDBTXTJ-UHFFFAOYSA-N", "inchikey2D": "FXUVJKGSDBTXTJ", "names": [ "4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1-(2-methyl-5-oxooxolan-2-yl)-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthrene-3,10-dione" ], "molecular_formula": "C27H38O6", "smiles": "CC1(C2CC(=O)C3(C)C4=C(C(=O)CC23C)C2(C)CCC(O)C(C)(C)C2CC4O)CCC(=O)O1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0180609" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "OJQDQVKLMQPWJL-UHFFFAOYSA-N": { "inchikey": "OJQDQVKLMQPWJL-UHFFFAOYSA-N", "inchikey2D": "OJQDQVKLMQPWJL", "names": [ "6-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O8", "smiles": "CC(CC(=O)CC(C)(O)C1=CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0174081" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "VCCZNZDGMFCWPD-OLMNPRSZSA-N": { "inchikey": "VCCZNZDGMFCWPD-OLMNPRSZSA-N", "inchikey2D": "VCCZNZDGMFCWPD", "names": [ "(-)-applanatumol F", "(3ar,4r,6as)-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3a-(dimethoxymethyl)-4-hydroxy-tetrahydrocyclopenta[c]furan-1-one" ], "molecular_formula": "C18H22O8", "smiles": "COC(OC)[C@@]12COC(=O)[C@]1(CC(=O)c1cc(O)ccc1O)CC[C@H]2O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0124675", "npaid": "NPA018879" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "BVQKWBKBNWFWQI-JQHOPTAZSA-N": { "inchikey": "BVQKWBKBNWFWQI-JQHOPTAZSA-N", "inchikey2D": "BVQKWBKBNWFWQI", "names": [ "(2e,6r)-6-[(1r,3ar,4s,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoderic acid GS-3" ], "molecular_formula": "C32H46O8", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C([C@@H](O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0205842", "npaid": "NPA008330" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "DUAREYISMIVGRE-UHFFFAOYSA-N": { "inchikey": "DUAREYISMIVGRE-UHFFFAOYSA-N", "inchikey2D": "DUAREYISMIVGRE", "names": [ "5-[5-(2,5-dihydroxyphenyl)-2-oxo-5h-furan-3-yl]-2-methylpent-2-enoic acid", "Oregonensin A" ], "molecular_formula": "C16H16O6", "smiles": "CC(=CCCC1=CC(c2cc(O)ccc2O)OC1=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0191098", "npaid": "NPA024959" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "JVABUELIHJXLKP-UHFFFAOYSA-N": { "inchikey": "JVABUELIHJXLKP-UHFFFAOYSA-N", "inchikey2D": "JVABUELIHJXLKP", "names": [ "6-[3-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H46O5", "smiles": "CC(=O)OC1CC(C(C)CCC=C(C)C(=O)O)C2(C)CC=C3C(=CCC4C(C)(C)C(=O)CCC34C)C12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0194625" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DIEUZIPSDUGWLD-ASCNBSCTSA-N": { "inchikey": "DIEUZIPSDUGWLD-ASCNBSCTSA-N", "inchikey2D": "DIEUZIPSDUGWLD", "names": [ "(2s,5e)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H44O7", "smiles": "C/C(=C\\C(=O)C[C@H](C)C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0139799" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FROUXXYVOAIKFY-KIFYFZPYSA-N": { "inchikey": "FROUXXYVOAIKFY-KIFYFZPYSA-N", "inchikey2D": "FROUXXYVOAIKFY", "names": [ "methyl (2r,6s)-6-[(1r,3s,3ar,5as,7s,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H48O6", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0190173" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KIILAFJJEYEVJN-UHFFFAOYSA-N": { "inchikey": "KIILAFJJEYEVJN-UHFFFAOYSA-N", "inchikey2D": "KIILAFJJEYEVJN", "names": [ "3a,6,6,9a,11a-pentamethyl-1-(6-oxohept-4-en-2-yl)-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione" ], "molecular_formula": "C29H42O3", "smiles": "CC(=O)C=CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0272273" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "GWXYUYTZJNWGAD-UHFFFAOYSA-N": { "inchikey": "GWXYUYTZJNWGAD-UHFFFAOYSA-N", "inchikey2D": "GWXYUYTZJNWGAD", "names": [ "methyl 6-hydroxy-6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O8", "smiles": "COC(=O)C(C)CC(=O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0142909" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "BHISOVHYFGGJLO-UHFFFAOYSA-N": { "inchikey": "BHISOVHYFGGJLO-UHFFFAOYSA-N", "inchikey2D": "BHISOVHYFGGJLO", "names": [ "10-hydroxy-5-methyl-2-(prop-1-en-2-yl)-6-oxatetracyclo[11.4.0.0¹,⁵.0⁷,¹²]heptadeca-7,9,11,13-tetraen-15-one" ], "molecular_formula": "C20H22O3", "smiles": "C=C(C)C1CCC2(C)Oc3ccc(O)cc3C3=CC(=O)CCC312", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0194851" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "OJDWINNMESMCGK-NXCSPJMSSA-N": { "inchikey": "OJDWINNMESMCGK-NXCSPJMSSA-N", "inchikey2D": "OJDWINNMESMCGK", "names": [ "ergosteryl palmitate" ], "molecular_formula": "C44H74O2", "smiles": "CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)C1", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0194566" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "JVGJXXNUVVQEIG-YPVVWARQSA-N": { "inchikey": "JVGJXXNUVVQEIG-YPVVWARQSA-N", "inchikey2D": "JVGJXXNUVVQEIG", "names": [ "(1r,3ar,9as,11ar)-1-[(2r)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one", "Ganoderiol F" ], "molecular_formula": "C30H46O3", "smiles": "C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0194968", "npaid": "NPA001135" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "FDTJOWCIQUMVQC-UHFFFAOYSA-N": { "inchikey": "FDTJOWCIQUMVQC-UHFFFAOYSA-N", "inchikey2D": "FDTJOWCIQUMVQC", "names": [ "methyl 6-{3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-3-hydroxy-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H48O7", "smiles": "COC(=O)C(C)C(O)C(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0191765" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "FMWDHZPVFRVQMU-KMKOMSMNSA-N": { "inchikey": "FMWDHZPVFRVQMU-KMKOMSMNSA-N", "inchikey2D": "FMWDHZPVFRVQMU", "names": [ "5-(2,5-dihydroxyphenyl)-3-[(3z)-5-hydroxy-4-methylpent-3-en-1-yl]-5h-furan-2-one", "Ganocapenoid D" ], "molecular_formula": "C16H18O5", "smiles": "C/C(=C/CCC1=CC(c2cc(O)ccc2O)OC1=O)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0138911", "npaid": "NPA026085" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "VBGDQDJVTLQGNO-JXLWEQSJSA-N": { "inchikey": "VBGDQDJVTLQGNO-JXLWEQSJSA-N", "inchikey2D": "VBGDQDJVTLQGNO", "names": [ "(2r,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H40O7", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0121483" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GYRDSOABOBCYST-UFJVKBAQSA-N": { "inchikey": "GYRDSOABOBCYST-UFJVKBAQSA-N", "inchikey2D": "GYRDSOABOBCYST", "names": [ "4-[(1r,3ar,4s,5ar,9as,11ar)-4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid", "Lucidenic acid B" ], "molecular_formula": "C27H38O7", "smiles": "CC(CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C(O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0199999", "npaid": "NPA007069" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KLERAWCDVJYHNH-UHFFFAOYSA-N": { "inchikey": "KLERAWCDVJYHNH-UHFFFAOYSA-N", "inchikey2D": "KLERAWCDVJYHNH", "names": [ "1-(7-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl formate" ], "molecular_formula": "C31H48O3", "smiles": "CC(=CCCC(C)C1CCC2(C)C3=CCC4C(C)(CCC(OC=O)C4(C)C)C3=CCC12C)CO", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0273809" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "RCSUYODNPCNTDX-SHFWFXOMSA-N": { "inchikey": "RCSUYODNPCNTDX-SHFWFXOMSA-N", "inchikey2D": "RCSUYODNPCNTDX", "names": [ "12β‐acetoxy‐3β,7β‐dihydroxy‐11,15,23‐trioxo‐lanost‐8,16‐dien‐26‐oic acid", "6-[(3as,4s,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H44O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C([C@@H](O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C=C(C(C)CC(=O)CC(C)C(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0204145", "npaid": "NPA007001" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YQOMGYYSWFJSPK-ZDUSSCGKSA-N": { "inchikey": "YQOMGYYSWFJSPK-ZDUSSCGKSA-N", "inchikey2D": "YQOMGYYSWFJSPK", "names": [ "(-)-ganoapplanatumine A", "2-[(5s)-5-hydroxy-4-methyl-5h,6h,7h-cyclopenta[c]pyridin-1-yl]benzene-1,4-diol" ], "molecular_formula": "C15H15NO3", "smiles": "Cc1cnc(-c2cc(O)ccc2O)c2c1[C@@H](O)CC2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0271825", "npaid": "NPA000112" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "SZPMTYUTLPPZMS-CQSZACIVSA-N": { "inchikey": "SZPMTYUTLPPZMS-CQSZACIVSA-N", "inchikey2D": "SZPMTYUTLPPZMS", "names": [ "(9r)-13-(dimethoxymethyl)-8-oxa-15-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(15),2,4,6,12(16),13-hexaen-4-ol", "Lucidimine D" ], "molecular_formula": "C17H17NO4", "smiles": "COC(OC)c1cnc2c3c1CC[C@H]3Oc1ccc(O)cc1-2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0131743", "npaid": "NPA014936" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XTNDNDHWETWEOJ-OAHLLOKOSA-N": { "inchikey": "XTNDNDHWETWEOJ-OAHLLOKOSA-N", "inchikey2D": "XTNDNDHWETWEOJ", "names": [ "9-[(2r)-2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl]nonanoic acid", "Dayaolingzhilactone A" ], "molecular_formula": "C15H24O5", "smiles": "CC1=C(C)[C@@](O)(CCCCCCCCC(=O)O)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0201081", "npaid": "NPA027126" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XMBMRJGNNOUNJL-XHOJQMQVSA-N": { "inchikey": "XMBMRJGNNOUNJL-XHOJQMQVSA-N", "inchikey2D": "XMBMRJGNNOUNJL", "names": [ "6-[(3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4,6-dihydroxy-2-methylheptanoic acid", "7beta,20,23xi-Trihydroxy-3,11,15-trioxol" ], "molecular_formula": "C30H44O8", "smiles": "CC(CC(O)CC(C)(O)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0260590", "npaid": "NPA014221" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "QJGMIPVHFFEAFN-UHFFFAOYSA-N": { "inchikey": "QJGMIPVHFFEAFN-UHFFFAOYSA-N", "inchikey2D": "QJGMIPVHFFEAFN", "names": [ "1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-dodecahydro-2h-cyclopenta[a]phenanthrene-1,2,3b,4,7-pentol" ], "molecular_formula": 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lucidum==Ganoderma" ] }, "XOBQAKLXNUVCPN-UHFFFAOYSA-N": { "inchikey": "XOBQAKLXNUVCPN-UHFFFAOYSA-N", "inchikey2D": "XOBQAKLXNUVCPN", "names": [ "1-{4-[3-(hydroxymethyl)-3-methyloxiran-2-yl]butan-2-yl}-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H46O3", "smiles": "CC(CCC1OC1(C)CO)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0129319" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XTKNDUKCUUVUEV-WYQVCHQDSA-N": { "inchikey": "XTKNDUKCUUVUEV-WYQVCHQDSA-N", "inchikey2D": "XTKNDUKCUUVUEV", "names": [ "(2r,3s,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-1,2-dihydroxy-2-methylheptan-3-yl 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"source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0126208" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "NPJICTMALKLTFW-OFUAXYCQSA-N": { "inchikey": "NPJICTMALKLTFW-OFUAXYCQSA-N", "inchikey2D": "NPJICTMALKLTFW", "names": [ "sitogluside" ], "molecular_formula": "C35H60O6", "smiles": "CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0201798" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "FUCYIEXQVQJBKY-UHFFFAOYSA-N": { "inchikey": "FUCYIEXQVQJBKY-UHFFFAOYSA-N", "inchikey2D": "FUCYIEXQVQJBKY", "names": [ "4-isopropyl-1,6-dimethyl-2,3,4,4a,7,8-hexahydronaphthalene" ], 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"LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0275267", "npaid": "NPA025434" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "FUXJBZDTQKOVCK-UHFFFAOYSA-N": { "inchikey": "FUXJBZDTQKOVCK-UHFFFAOYSA-N", "inchikey2D": "FUXJBZDTQKOVCK", "names": [ "methyl 6-{6,6,9a,11a-tetramethyl-3,4,7,10-tetraoxo-1h,2h,3ah,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C30H40O7", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC(=O)C2C3=C(C(=O)CC21C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0169502" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XOGXJZJBJDUENN-UHFFFAOYSA-N": { "inchikey": "XOGXJZJBJDUENN-UHFFFAOYSA-N", "inchikey2D": "XOGXJZJBJDUENN", "names": [ "6-{4-hydroxy-6,6,9a,11a-tetramethyl-3,7,10-trioxo-1h,2h,3ah,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C29H40O7", "smiles": "CC(CC(=O)CC(C)C1CC(=O)C2C3=C(C(=O)CC21C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0177155" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "ALIBLFYUASRDET-TVSZDTPLSA-N": { "inchikey": "ALIBLFYUASRDET-TVSZDTPLSA-N", "inchikey2D": "ALIBLFYUASRDET", "names": [ "(6r)-6-[(2r,6s,11r,14r,15r,16s,17r)-16-(acetyloxy)-17-hydroxy-6-(hydroxymethyl)-2,6,11,15-tetramethyl-5,9,12-trioxopentacyclo[8.7.0.0²,⁷.0³,¹⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-2-methylhept-2-enoic acid", "Ganoleucoin AA" ], "molecular_formula": "C32H42O9", "smiles": "CC(=O)O[C@@H]1[C@]2(O)C3=C(C(=O)CC4[C@@](C)(CO)C(=O)CC2[C@]34C)[C@]2(C)C(=O)C[C@H]([C@H](C)CCC=C(C)C(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0267965", "npaid": "NPA028205" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "SLJLUCPQAQEAOL-SJORKVTESA-N": { "inchikey": "SLJLUCPQAQEAOL-SJORKVTESA-N", "inchikey2D": "SLJLUCPQAQEAOL", "names": [ "Applamatine B", "[(1r,2s)-1-methoxy-5-(2-methoxyethyl)-2,4,6-trimethyl-1,3-dihydroinden-2-yl]methanol" ], "molecular_formula": "C17H26O3", "smiles": "COCCc1c(C)cc2c(c1C)C[C@@](C)(CO)[C@@H]2OC", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0204733", "npaid": "NPA017689" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "SFQSUCWHIWDMMD-NIVHMJOSSA-N": { "inchikey": "SFQSUCWHIWDMMD-NIVHMJOSSA-N", "inchikey2D": "SFQSUCWHIWDMMD", "names": [ "(2e,6r)-6-[(3ar,4s,7s,11s)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O8", "smiles": "C/C(=C\\C(O)C[C@@H](C)C1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)C12C)C1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0148626" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LCYXQUJDODZYIJ-VGMNWLOBSA-N": { "inchikey": "LCYXQUJDODZYIJ-VGMNWLOBSA-N", "inchikey2D": "LCYXQUJDODZYIJ", "names": [ "(1r,3s,5r)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol", "trans-Pinocarveol" ], "molecular_formula": "C10H16O", "smiles": "C=C1[C@@H](O)C[C@H]2C[C@@H]1C2(C)C", "species": [ "Ganoderma lucidum", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "KNApSAcK", "LOTUS" ], "external_ids": { "lotus_id": "LTS0165758", "knapsack_cid": "C00000829" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PIOYBULRRJNPSG-GPEQXWBKSA-N": { "inchikey": "PIOYBULRRJNPSG-GPEQXWBKSA-N", "inchikey2D": "PIOYBULRRJNPSG", "names": [ "Lucidal", "lucialdehyde c" ], "molecular_formula": "C30H46O3", "smiles": "C/C(C=O)=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0147527", "npaid": "NPA018058" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AJWHGXHFEQATTC-UHFFFAOYSA-N": { "inchikey": "AJWHGXHFEQATTC-UHFFFAOYSA-N", "inchikey2D": "AJWHGXHFEQATTC", "names": [ "6-{7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl}-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O8", "smiles": "CC(CC(=O)CC(C)(O)C1=CC(O)C2(C)C1(C)C(=O)C=C1C3(C)CCC(O)C(C)(C)C3CC3OC132)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0171346" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "WLDWSGZHNBANIO-UHFFFAOYSA-N": { "inchikey": "WLDWSGZHNBANIO-UHFFFAOYSA-N", "inchikey2D": "WLDWSGZHNBANIO", "names": [ "2-acetylhydroquinone" ], "molecular_formula": "C8H8O3", "smiles": "CC(=O)c1cc(O)ccc1O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0166352" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "FQTLCLSUCSAZDY-GOFCXVBSSA-N": { "inchikey": "FQTLCLSUCSAZDY-GOFCXVBSSA-N", "inchikey2D": "FQTLCLSUCSAZDY", "names": [ "(3r,6e)-nerolidol" ], "molecular_formula": "C15H26O", "smiles": "C=C[C@](C)(O)CC/C=C(\\C)CCC=C(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0145065" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XIMQDJNNBMWDIH-UHFFFAOYSA-N": { "inchikey": "XIMQDJNNBMWDIH-UHFFFAOYSA-N", "inchikey2D": "XIMQDJNNBMWDIH", "names": [ "4-{4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoic acid" ], "molecular_formula": "C27H40O7", "smiles": "CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0146670" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QHLHTTNIUVMWRY-DGNKHACDSA-N": { "inchikey": "QHLHTTNIUVMWRY-DGNKHACDSA-N", "inchikey2D": "QHLHTTNIUVMWRY", "names": [ "(2e,6r)-6-[(1r,3ar,4r,7r,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoderique acid T" ], "molecular_formula": "C30H48O4", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)C1C[C@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0150324", "npaid": "NPA014932" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MKRUQZJVIBXVNG-UHFFFAOYSA-N": { "inchikey": "MKRUQZJVIBXVNG-UHFFFAOYSA-N", "inchikey2D": "MKRUQZJVIBXVNG", "names": [ "methyl 4-{4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoate" ], "molecular_formula": "C28H42O7", "smiles": "COC(=O)CCC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0167640" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FDBSAJLAFMYDGR-ZJNFVYQVSA-N": { "inchikey": "FDBSAJLAFMYDGR-ZJNFVYQVSA-N", "inchikey2D": "FDBSAJLAFMYDGR", "names": [ "(2s,6r)-6-[(1r,3r,3ar,5ar,6r,9as,11ar)-6-[(acetyloxy)methyl]-3-hydroxy-3a,6,9a,11a-tetramethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Acetyl ganohainanic acid A" ], "molecular_formula": "C32H44O9", "smiles": "CC(=O)OC[C@]1(C)C(=O)CC[C@]2(C)C3=C(C(=O)C[C@H]21)[C@]1(C)[C@H](O)C[C@H]([C@H](C)CC(=O)C[C@H](C)C(=O)O)[C@@]1(C)CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0199960", "npaid": "NPA013428" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "GYBAQGGQWHOTNZ-OUOJQNSSSA-N": { "inchikey": "GYBAQGGQWHOTNZ-OUOJQNSSSA-N", "inchikey2D": "GYBAQGGQWHOTNZ", "names": [ "(+)-(5α,24E)-3β-acetoxyl-7β-hydroxylanosta-8,24-dien-11-oxo- 26-AL", "(1r,3ar,4s,5ar,7s,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2r,5e)-6-methyl-7-oxohept-5-en-2-yl]-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl formate" ], "molecular_formula": "C31H46O5", "smiles": "C/C(C=O)=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](OC=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0133846", "npaid": "NPA023768" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "AECSEKNULZXYNZ-AHVORFFJSA-N": { "inchikey": "AECSEKNULZXYNZ-AHVORFFJSA-N", "inchikey2D": "AECSEKNULZXYNZ", "names": [ "(2e,6s)-6-[(1r,3s,3ar,4r,5ar,7r,9as,11ar)-3,7-bis(acetyloxy)-4-ethoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid", "7-O-ethyl ganoderic acid O" ], "molecular_formula": "C38H58O9", "smiles": "CCO[C@@H]1C[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)C(C/C=C(\\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0166747", "npaid": "NPA010643" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZALUTFUTOCLYRF-YVEFUNNKSA-N": { "inchikey": "ZALUTFUTOCLYRF-YVEFUNNKSA-N", "inchikey2D": "ZALUTFUTOCLYRF", "names": [ "(2r,7'r)-5-hydroxy-3'-(methoxycarbonyl)-3-oxospiro[1-benzofuran-2,1'-cycloheptan]-3'-ene-7'-carboxylic acid", "Spiroapplanatumine F" ], "molecular_formula": "C17H16O7", "smiles": "COC(=O)C1=CCC[C@@H](C(=O)O)[C@@]2(C1)Oc1ccc(O)cc1C2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0147419", "npaid": "NPA022137" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "AWDXEDPZZFRKNY-VTOTWIFMSA-N": { "inchikey": "AWDXEDPZZFRKNY-VTOTWIFMSA-N", "inchikey2D": "AWDXEDPZZFRKNY", "names": [ "(2s,5e)-6-[(1r,3s,3as,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,11-dioxo-1h,2h,3h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid", "Gibbosic acid O" ], "molecular_formula": "C30H40O6", "smiles": "C/C(=C\\C(=O)C[C@H](C)C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC(=O)[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0168682", "npaid": "NPA025429" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "YNHPWMXJGUOPOK-NOXQYYELSA-N": { "inchikey": "YNHPWMXJGUOPOK-NOXQYYELSA-N", "inchikey2D": "YNHPWMXJGUOPOK", "names": [ "(3r,4ar,9ar)-4a,7-dihydroxy-3-(1-hydroxypropan-2-yl)-1,2,3,9a-tetrahydroxanthene-4,9-dione", "Applanatin B" ], "molecular_formula": "C16H18O6", "smiles": "CC(CO)[C@H]1CC[C@@H]2C(=O)c3cc(O)ccc3O[C@@]2(O)C1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0155109", "npaid": "NPA011931" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "VDYCLYGKCGVBHN-FOWHHFFXSA-N": { "inchikey": "VDYCLYGKCGVBHN-FOWHHFFXSA-N", "inchikey2D": "VDYCLYGKCGVBHN", "names": [ "(2s)-2-[(1r,2r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid", "3-Epipachymic acid" ], "molecular_formula": "C33H52O5", "smiles": "C=C(CC[C@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(C)C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0148824", "npaid": "NPA012315" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "HNBGJFRBRDXXKU-UHFFFAOYSA-N": { "inchikey": "HNBGJFRBRDXXKU-UHFFFAOYSA-N", "inchikey2D": "HNBGJFRBRDXXKU", "names": [ "5-hydroxy-3-oxospiro[1-benzofuran-2,1'-cycloheptan]-3'-ene-3',7'-dicarboxylic acid" ], "molecular_formula": "C16H14O7", "smiles": "O=C(O)C1=CCCC(C(=O)O)C2(C1)Oc1ccc(O)cc1C2=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0148466" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "SLJLUCPQAQEAOL-IRXDYDNUSA-N": { "inchikey": "SLJLUCPQAQEAOL-IRXDYDNUSA-N", "inchikey2D": "SLJLUCPQAQEAOL", "names": [ "Applanatine A", "[(1s,2s)-1-methoxy-5-(2-methoxyethyl)-2,4,6-trimethyl-1,3-dihydroinden-2-yl]methanol" ], "molecular_formula": "C17H26O3", "smiles": "COCCc1c(C)cc2c(c1C)C[C@@](C)(CO)[C@H]2OC", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0164531", "npaid": "NPA008828" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "FDBJWQHOGLAJOW-UHFFFAOYSA-N": { "inchikey": "FDBJWQHOGLAJOW-UHFFFAOYSA-N", "inchikey2D": "FDBJWQHOGLAJOW", "names": [ "3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-enoate" ], "molecular_formula": "C36H56O8", "smiles": "CC(C)=CCCC(C(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0151385" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "RYYPAZDIGKUCGJ-LGPJMIRSSA-N": { "inchikey": "RYYPAZDIGKUCGJ-LGPJMIRSSA-N", "inchikey2D": "RYYPAZDIGKUCGJ", "names": [ "(2s)-6-[(1s,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohexanoic acid" ], "molecular_formula": "C29H42O7", "smiles": "C[C@@H](CC(=O)CC[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0139189" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KZQCCTIIHZYRNR-UHFFFAOYSA-N": { "inchikey": "KZQCCTIIHZYRNR-UHFFFAOYSA-N", "inchikey2D": "KZQCCTIIHZYRNR", "names": [ "methyl 1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2,4-dihydroxy-3-methylidenecyclohexane-1-carboxylate" ], "molecular_formula": "C17H20O7", "smiles": "C=C1C(O)CCC(CC(=O)c2cc(O)ccc2O)(C(=O)OC)C1O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0143773" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "JTBDTJVGIGEPFI-IZGMBVGMSA-N": { "inchikey": "JTBDTJVGIGEPFI-IZGMBVGMSA-N", "inchikey2D": "JTBDTJVGIGEPFI", "names": [ "(2e,4s,6r)-6-[(1r,3s,3ar,4r,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid", "Ganoderic acid δ" ], "molecular_formula": "C30H44O7", "smiles": "C/C(=C\\[C@@H](O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0152344", "npaid": "NPA001604" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OYKXWLQGJMIRTL-PTWPCQPQSA-N": { "inchikey": "OYKXWLQGJMIRTL-PTWPCQPQSA-N", "inchikey2D": "OYKXWLQGJMIRTL", "names": [ "(3r,3as,3bs,5ar,9as,11as)-1-acetyl-3,3b-dihydroxy-3a,6,6,9a,11a-pentamethyl-3h,5h,5ah,8h,9h-cyclopenta[a]phenanthrene-4,7,11-trione", "Applanone C" ], "molecular_formula": "C24H30O6", "smiles": "CC(=O)C1=C[C@@H](O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC(=O)[C@]12O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0138868", "npaid": "NPA025880" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "HYGBHWPLEUKJIK-UHFFFAOYSA-N": { "inchikey": "HYGBHWPLEUKJIK-UHFFFAOYSA-N", "inchikey2D": "HYGBHWPLEUKJIK", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-3a,7,9b-trihydroxy-9a,11a-dimethyl-dodecahydrocyclopenta[a]phenanthren-4-one" ], "molecular_formula": "C28H46O4", "smiles": "CC(C)C(C)C=CC(C)C1CCC2(O)C3C(=O)CC4CC(O)CCC4(C)C3(O)CCC12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0139600" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "DYOKDAQBNHPJFD-QAKLKQDZSA-N": { "inchikey": "DYOKDAQBNHPJFD-QAKLKQDZSA-N", "inchikey2D": "DYOKDAQBNHPJFD", "names": [ "(2r,6r)-6-[(1r,3s,3ar,4s,5as,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O7", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0168943" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KIHVGBMPKKDQCU-UHFFFAOYSA-N": { "inchikey": "KIHVGBMPKKDQCU-UHFFFAOYSA-N", "inchikey2D": "KIHVGBMPKKDQCU", "names": [ "6-{3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-4-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H46O6", "smiles": "CC(=CC(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0169641" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "KIJCKCLHIXLFEW-OLZWDSKASA-N": { "inchikey": "KIJCKCLHIXLFEW-OLZWDSKASA-N", "inchikey2D": "KIJCKCLHIXLFEW", "names": [ "(2r,6s)-6-[(1s,3s,3as,5ar,9ar,11as)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O7", "smiles": "C[C@@H](CC(=O)C[C@@H](C)C(=O)O)[C@@H]1C[C@H](O)[C@]2(C)C3=C(C(=O)C[C@@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0141308" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WEEGYLXZBRQIMU-WAAGHKOSSA-N": { "inchikey": "WEEGYLXZBRQIMU-WAAGHKOSSA-N", "inchikey2D": "WEEGYLXZBRQIMU", "names": [ "1,8-cineole" ], "molecular_formula": "C10H18O", "smiles": "CC1(C)O[C@]2(C)CC[C@H]1CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0166505" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PWADAHTZZKLCAK-XRNZNSMASA-N": { "inchikey": "PWADAHTZZKLCAK-XRNZNSMASA-N", "inchikey2D": "PWADAHTZZKLCAK", "names": [ "(4r)-4-[(1r,3s,3ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid", "Ganoderic acid Jd" ], "molecular_formula": "C27H40O4", "smiles": "C[C@H](CCC(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0131941", "npaid": "NPA011695" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "RTEHLCKIRCYCAH-UHFFFAOYSA-N": { "inchikey": "RTEHLCKIRCYCAH-UHFFFAOYSA-N", "inchikey2D": "RTEHLCKIRCYCAH", "names": [ "butyl 6-[11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C36H54O9", "smiles": "CCCCOC(=O)C(C)CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0149235" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FVDWRVJVWXPRSP-KRAOARPUSA-N": { "inchikey": "FVDWRVJVWXPRSP-KRAOARPUSA-N", "inchikey2D": "FVDWRVJVWXPRSP", "names": [ "(1r,3s,7s,9as,9bs,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-3,7,9b-triol", "(22E, 24R)-9α,15α-dihydroxyergosta-4,6,8(14),22-tetraen-3-one" ], "molecular_formula": "C28H42O3", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1C[C@H](O)C2=C3C=CC4=C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0148974", "npaid": "NPA025982" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "YDQPKDJGRUVFMW-QMYGOAEBSA-N": { "inchikey": "YDQPKDJGRUVFMW-QMYGOAEBSA-N", "inchikey2D": "YDQPKDJGRUVFMW", "names": [ "(1r,3ar,5ar,9as,10r,11ar)-10-hydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2r)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione", "Ganoleucoin X" ], "molecular_formula": "C30H48O6", "smiles": "C[C@H](CCC(O)C(C)(O)CO)[C@H]1CC[C@@]2(C)C3=C([C@H](O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0141149", "npaid": "NPA028210" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "HUTCYUJPLOTDMX-KDDHNWJXSA-N": { "inchikey": "HUTCYUJPLOTDMX-KDDHNWJXSA-N", "inchikey2D": "HUTCYUJPLOTDMX", "names": [ "(2e,6r)-6-[(1r,3ar,5as,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H46O3", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0154591" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WXLNRMQNOFBFEP-WKXUEOODSA-N": { "inchikey": "WXLNRMQNOFBFEP-WKXUEOODSA-N", "inchikey2D": "WXLNRMQNOFBFEP", "names": [ "(17S,23S)-17,23-epoxy-3β-hydroxy-7,11,15-trioxo-5α-lanosta-8-en-26,23-olide", "(1s,3ar,4''r,5's,5ar,7s,9as,11as)-7-hydroxy-3',3a,4'',6,6,9a,11a-heptamethyl-5,5a,7,8,9,11-hexahydro-2h-dispiro[cyclopenta[a]phenanthrene-1,2':5',2''-bis(oxolane)]-3,4,5'',10-tetrone" ], "molecular_formula": "C30H40O7", "smiles": "CC1C[C@]2(C[C@@H](C)C(=O)O2)O[C@@]12CC(=O)[C@@]1(C)C3=C(C(=O)C[C@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0142726", "npaid": "NPA027924" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "SGBNYANGOPKPRX-QCVMKDKESA-N": { "inchikey": "SGBNYANGOPKPRX-QCVMKDKESA-N", "inchikey2D": "SGBNYANGOPKPRX", "names": [ "(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2r,4e)-6-oxohept-4-en-2-yl]-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-7,10-dione", "Ganodecalone B" ], "molecular_formula": "C29H42O3", "smiles": "CC(=O)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0151438", "npaid": "NPA023618" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "INIPQDKLXQHEAJ-NCQSLMINSA-N": { "inchikey": "INIPQDKLXQHEAJ-NCQSLMINSA-N", "inchikey2D": "INIPQDKLXQHEAJ", "names": [ "(4r)-4-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid", "Lucidenic acid A" ], "molecular_formula": "C27H38O6", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0168239", "npaid": "NPA015826" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ABKXMOHJGSXLHK-IVGZARGWSA-N": { "inchikey": "ABKXMOHJGSXLHK-IVGZARGWSA-N", "inchikey2D": "ABKXMOHJGSXLHK", "names": [ "(6r)-6-[(1r,3as,3br,5as,9ar,9bs,11ar)-3a,6,6,9a,11a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-3-methylheptan-2-one", "24ξ-methyl-5α-lanosta-25-one" ], "molecular_formula": "C30H52O", "smiles": "CC(=O)C(C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0168101", "npaid": "NPA019401" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "KXYWXCIDKNDYTK-RRHNHSKDSA-N": { "inchikey": "KXYWXCIDKNDYTK-RRHNHSKDSA-N", "inchikey2D": "KXYWXCIDKNDYTK", "names": [ "methyl (6r)-6-[(1r,3ar,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C33H46O9", "smiles": "COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0272629" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ASPCIAWQVXVATP-UHFFFAOYSA-N": { "inchikey": "ASPCIAWQVXVATP-UHFFFAOYSA-N", "inchikey2D": "ASPCIAWQVXVATP", "names": [ "4-[11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C29H40O8", "smiles": "CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O)C12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0154210" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AVSUQFFHBSVWRI-UHFFFAOYSA-N": { "inchikey": "AVSUQFFHBSVWRI-UHFFFAOYSA-N", "inchikey2D": "AVSUQFFHBSVWRI", "names": [ "methyl 4-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoate" ], "molecular_formula": "C28H40O6", "smiles": "COC(=O)CCC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0156701" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ONEGFRCEZYDTTB-XFFZJAGNSA-N": { "inchikey": "ONEGFRCEZYDTTB-XFFZJAGNSA-N", "inchikey2D": "ONEGFRCEZYDTTB", "names": [ "4-[(2e)-4-(3,3-dimethyloxiran-2-yl)-1,4-dioxobut-2-en-2-yl]cyclohexane-1-carboxylic acid", "Ganodermycin" ], "molecular_formula": "C15H20O5", "smiles": "CC1(C)OC1C(=O)/C=C(/C=O)C1CCC(C(=O)O)CC1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0154388", "npaid": "NPA002805" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "BLDXOUBREONOQF-UHFFFAOYSA-N": { "inchikey": "BLDXOUBREONOQF-UHFFFAOYSA-N", "inchikey2D": "BLDXOUBREONOQF", "names": [ "methyl 6-hydroxy-2-methyl-4-oxo-6-{3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}heptanoate" ], "molecular_formula": "C31H48O8", "smiles": "COC(=O)C(C)CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0154060" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HZCCGGOBXSVZRJ-XRLJWPMHSA-N": { "inchikey": "HZCCGGOBXSVZRJ-XRLJWPMHSA-N", "inchikey2D": "HZCCGGOBXSVZRJ", "names": [ "(1r,3ar,5ar,9as,11ar)-1-[(2r)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione", "5α-lanosta-8,24-diene-26,27-dihydroxy-3,7-dione" ], "molecular_formula": "C30H46O4", "smiles": "C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0144812", "npaid": "NPA011673" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OTUZGGSAOMCYNC-NMGRQNFYSA-N": { "inchikey": "OTUZGGSAOMCYNC-NMGRQNFYSA-N", "inchikey2D": "OTUZGGSAOMCYNC", "names": [ "(2z,6r)-6-[(1r,3s,3ar,5ar,7s,9as,11ar)-3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O6", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)C[C@H](OC(C)=O)[C@@]4(C)C3=CC[C@H]2C1(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0196993" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UUXRMEDPYJOTRV-AOHQVXHWSA-N": { "inchikey": "UUXRMEDPYJOTRV-AOHQVXHWSA-N", "inchikey2D": "UUXRMEDPYJOTRV", "names": [ "(1s,3r,3as,3bs,5ar,9as,11ar)-3,3b-dihydroxy-1-[(2s)-2-hydroxy-1-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h-cyclopenta[a]phenanthrene-4,7,11-trione", "Applanlactone A" ], "molecular_formula": "C30H42O8", "smiles": "C[C@H]1C[C@@H](C[C@](C)(O)[C@H]2C[C@@H](O)[C@@]3(C)[C@]4(O)C(=O)C[C@H]5C(C)(C)C(=O)CC[C@]5(C)C4=CC(=O)[C@]23C)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0144940", "npaid": "NPA025883" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "GSUMMBGPXVRPOL-UHFFFAOYSA-N": { "inchikey": "GSUMMBGPXVRPOL-UHFFFAOYSA-N", "inchikey2D": "GSUMMBGPXVRPOL", "names": [ "6-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2,3-dihydroxy-2-methylheptyl 2-[2-(2,5-dihydroxyphenyl)ethylidene]-6,10-dimethylundeca-5,9-dienoate" ], "molecular_formula": "C51H74O7", "smiles": "CC(C)=CCCC(C)=CCCC(=CCc1cc(O)ccc1O)C(=O)OCC(C)(O)C(O)CCC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0145036" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "BAECOWNUKCLBPZ-HIUWNOOHSA-N": { "inchikey": "BAECOWNUKCLBPZ-HIUWNOOHSA-N", "inchikey2D": "BAECOWNUKCLBPZ", "names": [ "(1s)-2-[(9z)-octadec-9-enoyloxy]-1-{[(10z)-2-oxononadec-10-en-1-yl]oxy}ethyl (9z)-octadec-9-enoate" ], "molecular_formula": "C57H104O6", "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)CO[C@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCCCC", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0265845" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "MGRJEAWMLFNPRE-MIRMKWKBSA-N": { "inchikey": "MGRJEAWMLFNPRE-MIRMKWKBSA-N", "inchikey2D": "MGRJEAWMLFNPRE", "names": [ "(2z)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-[(1r,5s)-5-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]but-2-enoic acid", "Cochlearol G" ], "molecular_formula": "C21H26O6", "smiles": "CC1=CC[C@H](O)C(C)(C)[C@@H]1C/C=C(/CC(=O)c1cc(O)ccc1O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0145055", "npaid": "NPA026908" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "VLKMPIWFTPSHEP-BHNHYPNCSA-N": { "inchikey": "VLKMPIWFTPSHEP-BHNHYPNCSA-N", "inchikey2D": "VLKMPIWFTPSHEP", "names": [ "(2r,4as,6s,7r)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6,7-dihydroxy-5,5-dimethyl-1,3,4,4a,6,7-hexahydronaphthalene-2-carboxylic acid", "Cochlearol N" ], "molecular_formula": "C21H26O7", "smiles": "CC1(C)[C@H]2CC[C@@](CC(=O)c3cc(O)ccc3O)(C(=O)O)CC2=C[C@@H](O)[C@H]1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0154900", "npaid": "NPA025925" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "KQCVKFGLFAQKJJ-GIDUJCDVSA-N": { "inchikey": "KQCVKFGLFAQKJJ-GIDUJCDVSA-N", "inchikey2D": "KQCVKFGLFAQKJJ", "names": [ "(10e)-20-hydroxy-11,15,15-trimethyl-5,16-dioxatricyclo[15.4.0.0³,⁷]henicosa-1(21),3(7),10,17,19-pentaen-6-one", "(±)-cochlearin C" ], "molecular_formula": "C22H28O4", "smiles": "C/C1=C\\CCC2=C(COC2=O)Cc2cc(O)ccc2OC(C)(C)CCC1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0197663", "npaid": "NPA028158" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "BWCNWXLKMWWVBT-STBKPDFISA-N": { "inchikey": "BWCNWXLKMWWVBT-STBKPDFISA-N", "inchikey2D": "BWCNWXLKMWWVBT", "names": [ "(2r,6s)-6-[(1r,3ar,5ar,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H42O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@@H](C)CC(=O)C[C@@H](C)C(=O)O)[C@@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0163903" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NKSKUMZWMJJCOG-IIAWOOMASA-N": { "inchikey": "NKSKUMZWMJJCOG-IIAWOOMASA-N", "inchikey2D": "NKSKUMZWMJJCOG", "names": [ "(-)-applanatumol M", "(1r,4r,5r)-4-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-6-methylidene-2-oxabicyclo[2.2.2]octan-3-one" ], "molecular_formula": "C16H16O6", "smiles": "C=C1[C@H]2CC[C@](CC(=O)c3cc(O)ccc3O)(C(=O)O2)[C@@H]1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0191311", "npaid": "NPA013762" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "OCLVBEOPEKEKNM-CAXIOAJTSA-N": { "inchikey": "OCLVBEOPEKEKNM-CAXIOAJTSA-N", "inchikey2D": "OCLVBEOPEKEKNM", "names": [ "(2e,5s,6s)-6-[(1r,3s,3ar,5ar,7r,9as,11ar)-3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid", "Ganoderic acid T" ], "molecular_formula": "C36H52O8", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0260527", "npaid": "NPA009338" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JBMVFHJFFZPAJI-GIWXACCHSA-N": { "inchikey": "JBMVFHJFFZPAJI-GIWXACCHSA-N", "inchikey2D": "JBMVFHJFFZPAJI", "names": [ "(2e,6s)-6-[(1r,3s,3ar,4r,5ar,7s,9as,11ar)-4,7-bis(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H52O7", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](OC(C)=O)C[C@H]2C1(C)C)[C@]1(C)[C@@H](O)C[C@H]([C@@H](C)CC/C=C(\\C)C(=O)O)[C@@]1(C)CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0154489" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ARXHRTZAVQOQEU-LYHJVHLQSA-N": { "inchikey": "ARXHRTZAVQOQEU-LYHJVHLQSA-N", "inchikey2D": "ARXHRTZAVQOQEU", "names": [ "(1r,3ar,5r,5ar,7s,9ar,9bs,11ar)-1-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,5a,7-triol" ], "molecular_formula": "C28H46O3", "smiles": "CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0139281" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CJPRYGHXZADIKU-IDHQHJQBSA-N": { "inchikey": "CJPRYGHXZADIKU-IDHQHJQBSA-N", "inchikey2D": "CJPRYGHXZADIKU", "names": [ "(2e,5s,6r)-6-[(1s,3s,3as,4r,5as,7r,9as,11ar)-3,7-bis(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C36H54O9", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@H](C)[C@@H]1C[C@H](OC(C)=O)[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0260311" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GMHGOWUWKOOSRY-UHFFFAOYSA-N": { "inchikey": "GMHGOWUWKOOSRY-UHFFFAOYSA-N", "inchikey2D": "GMHGOWUWKOOSRY", "names": [ "6-{7-hydroxy-6,6,10,14,18-pentamethyl-13,17-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O7", "smiles": "CC(CC(=O)CC(C)C1CC(=O)C2(C)C1(C)C(=O)C=C1C3(C)CCC(O)C(C)(C)C3CC3OC132)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0158612" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "ZWRUINPWMLAQRD-UHFFFAOYSA-N": { "inchikey": "ZWRUINPWMLAQRD-UHFFFAOYSA-N", "inchikey2D": "ZWRUINPWMLAQRD", "names": [ "nonan-1-ol" ], "molecular_formula": "C9H20O", "smiles": "CCCCCCCCCO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0157379" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XIMQDJNNBMWDIH-NPNFGQDMSA-N": { "inchikey": "XIMQDJNNBMWDIH-NPNFGQDMSA-N", "inchikey2D": "XIMQDJNNBMWDIH", "names": [ "(4s)-4-[(1r,3ar,4s,5ar,7s,9as,11s,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H40O7", "smiles": "C[C@@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0190746" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LVGCWXNRZNCAJG-AMKDLFIQSA-N": { "inchikey": "LVGCWXNRZNCAJG-AMKDLFIQSA-N", "inchikey2D": "LVGCWXNRZNCAJG", "names": [ "(1r,3ar,5ar,9as,11ar)-1-[(2r,5s)-5,6-dihydroxy-6-methylheptan-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione", "Lucidumol A" ], "molecular_formula": "C30H48O4", "smiles": "C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0164048", "npaid": "NPA000628" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GUVHIYQXEZUQDO-HOCLYGCPSA-N": { "inchikey": "GUVHIYQXEZUQDO-HOCLYGCPSA-N", "inchikey2D": "GUVHIYQXEZUQDO", "names": [ "(-)-applanatumol N", "(1s,2s)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-hydroxy-3-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid" ], "molecular_formula": "C16H18O7", "smiles": "O=C(C[C@@]1(C(=O)O)CCC=C(CO)[C@@H]1O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0191730", "npaid": "NPA016458" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "BSEYIQDDZBVTJY-MIYKPGHZSA-N": { "inchikey": "BSEYIQDDZBVTJY-MIYKPGHZSA-N", "inchikey2D": "BSEYIQDDZBVTJY", "names": [ "(2s)-6-[(1s,3s,3ar,4s,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohexanoic acid" ], "molecular_formula": "C29H42O7", "smiles": "C[C@@H](CC(=O)CC[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0263147" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VPMBQAULVONHEM-IMJJTQAJSA-N": { "inchikey": 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"DUXFFVYODRXEPM-HXMOPHLFSA-N", "inchikey2D": "DUXFFVYODRXEPM", "names": [ "Resinacein O", "methyl (6r)-6-[(1r,3ar,4s,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O8", "smiles": "COC(=O)C(C)C(O)C(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0147444", "npaid": "NPA023689" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "ZODRLJLUCBBQSJ-UHFFFAOYSA-N": { "inchikey": "ZODRLJLUCBBQSJ-UHFFFAOYSA-N", "inchikey2D": "ZODRLJLUCBBQSJ", "names": [ "octadeca-10,13-dienoic acid" ], "molecular_formula": "C18H32O2", "smiles": "CCCCC=CCC=CCCCCCCCCC(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0149742" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YGIXGYUHDZWEHD-ZXKRVFHVSA-N": { "inchikey": "YGIXGYUHDZWEHD-ZXKRVFHVSA-N", "inchikey2D": "YGIXGYUHDZWEHD", "names": [ "(2e,5s,6s)-6-[(1r,3s,3ar,4r,5as,7r,9ar,11as)-7-(acetyloxy)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H52O8", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@@]12C)[C@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0151827" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XRBLVCACUHPHDE-PVOQTERWSA-N": { "inchikey": "XRBLVCACUHPHDE-PVOQTERWSA-N", "inchikey2D": "XRBLVCACUHPHDE", "names": [ "(2e,6r)-6-[(1r,3s,3ar,5as,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O5", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0159154" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JUPXTLOMXSPQGX-BTAJHMEGSA-N": { "inchikey": "JUPXTLOMXSPQGX-BTAJHMEGSA-N", "inchikey2D": "JUPXTLOMXSPQGX", "names": [ "(2e,6s)-6-[(3s,3ar,7s,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methylhept-2-enoic acid", "Resinacein E" ], "molecular_formula": "C30H44O7", "smiles": "C/C(=C\\CC[C@](C)(O)C1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0139294", "npaid": "NPA023679" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "POQMIGQCVPIYKY-GDNBJLHTSA-N": { "inchikey": "POQMIGQCVPIYKY-GDNBJLHTSA-N", "inchikey2D": "POQMIGQCVPIYKY", "names": [ "(2r,6r)-6-[(1r,3s,3ar,5ar,7s,9as,11ar)-7-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H46O8", 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"LOTUS" ], "external_ids": { "lotus_id": "LTS0123523" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KWZNLJRIABJHPG-IOSWJYSCSA-N": { "inchikey": "KWZNLJRIABJHPG-IOSWJYSCSA-N", "inchikey2D": "KWZNLJRIABJHPG", "names": [ "(1r,3ar,5ar,9as,11ar)-1-[(2r)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-2,7-dione", "26,27-dihydroxylanosta-7,9(11),24-trien-3,16-dione" ], "molecular_formula": "C30H44O4", "smiles": "C[C@H](CCC=C(CO)CO)[C@H]1C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0150717", "npaid": "NPA001507" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "RUEBMBLFAJUSGD-PFOMIIMWSA-N": { 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"CC(CO)[C@H]1CC[C@@](CC(=O)c2cc(O)ccc2O)(C(=O)O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0263330", "npaid": "NPA017568" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "UHQOYWRQNBWEAM-MJXYXNKESA-N": { "inchikey": "UHQOYWRQNBWEAM-MJXYXNKESA-N", "inchikey2D": "UHQOYWRQNBWEAM", "names": [ "(1r,3ar,5ar,7s,9as,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C28H44O", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C=C3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0152440" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UAFWFNZQRZDPMO-FXJQOORKSA-N": { "inchikey": "UAFWFNZQRZDPMO-FXJQOORKSA-N", "inchikey2D": "UAFWFNZQRZDPMO", "names": [ "(2s)-2-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]propanoic acid", "Ganodernoid A" ], "molecular_formula": "C25H32O6", "smiles": "C[C@H](C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0264743", "npaid": "NPA010168" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LJDYIANNVNRBHB-UHFFFAOYSA-N": { "inchikey": "LJDYIANNVNRBHB-UHFFFAOYSA-N", "inchikey2D": "LJDYIANNVNRBHB", "names": [ "6-{7-[(2-carboxyacetyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylidene-4-oxoheptanoic acid" ], "molecular_formula": "C34H50O7", "smiles": "C=C(C(=O)CC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(=O)CC(=O)O)C(C)(C)C1CC3)C(C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0150376" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "WWJFQSXVIHXIBB-JNANAJFTSA-N": { "inchikey": "WWJFQSXVIHXIBB-JNANAJFTSA-N", "inchikey2D": "WWJFQSXVIHXIBB", "names": [ "(2r,3s,6r)-6-[(1r,3ar,5ar,7r,9as,11ar)-7-[(2-carboxyacetyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dimethyl-4-oxoheptanoic acid" ], "molecular_formula": "C34H52O7", "smiles": "C[C@H](C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3)[C@@H](C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0155340" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "RHUOPMPJXWNRKL-VFTKYELVSA-N": { "inchikey": "RHUOPMPJXWNRKL-VFTKYELVSA-N", "inchikey2D": "RHUOPMPJXWNRKL", "names": [ "20-hydroxylucidenic acid F", "4-[(1s,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxypentanoic acid" ], "molecular_formula": "C27H36O7", "smiles": "CC(O)(CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0151470", "npaid": "NPA005478" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OPLJGFXQJUOYGT-HUESYALOSA-N": { "inchikey": "OPLJGFXQJUOYGT-HUESYALOSA-N", "inchikey2D": "OPLJGFXQJUOYGT", "names": [ "(-)-gancochlearol C", "(2r)-2,5'-bis(2,5-dihydroxyphenyl)-3',4-bis(4,8-dimethylnona-3,7-dien-1-yl)-[2,2'-bifuran]-5-one" ], "molecular_formula": "C42H50O7", "smiles": "CC(C)=CCCC(C)=CCCC1=C[C@@](c2cc(O)ccc2O)(c2oc(-c3cc(O)ccc3O)cc2CCC=C(C)CCC=C(C)C)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0152690", "npaid": "NPA027949" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "IPHISYDAYNYHSC-UHFFFAOYSA-N": { "inchikey": "IPHISYDAYNYHSC-UHFFFAOYSA-N", "inchikey2D": "IPHISYDAYNYHSC", "names": [ "2-[7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-hydroxy-6-methylhept-6-enoic acid" ], "molecular_formula": "C32H50O5", "smiles": "C=C(C)C(O)CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0093485" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "XRLVMZVXPMYCSF-UHFFFAOYSA-N": { "inchikey": "XRLVMZVXPMYCSF-UHFFFAOYSA-N", "inchikey2D": "XRLVMZVXPMYCSF", "names": [ "4-hydroxy-1-{4-[3-(hydroxymethyl)-3-methyloxiran-2-yl]butan-2-yl}-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H48O4", "smiles": "CC(CCC1OC1(C)CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0257227" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZCMJUAGNOJTZBJ-KFUKHPFLSA-N": { "inchikey": "ZCMJUAGNOJTZBJ-KFUKHPFLSA-N", "inchikey2D": "ZCMJUAGNOJTZBJ", "names": [ "(2r,5s)-2-[(1r,2r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylhept-6-enoic acid" ], "molecular_formula": "C33H52O5", "smiles": "C=C(C)[C@@H](C)CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0222480" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "KYHKPCGXLKZMBU-YZYPORCTSA-N": { "inchikey": "KYHKPCGXLKZMBU-YZYPORCTSA-N", "inchikey2D": "KYHKPCGXLKZMBU", "names": [ "(1s,3s,3'r,3as,4s,5's,5ar,7s,9as,11as)-3,4,7-trihydroxy-3',3a,4'',6,6,9a,11a-heptamethyl-3,4,5,5a,7,8,9,11-octahydro-2h-dispiro[cyclopenta[a]phenanthrene-1,2':5',2''-bis(oxolane)]-5'',10-dione", "Ganotropic acid" ], "molecular_formula": "C30H44O7", "smiles": "CC1C[C@]2(C[C@@H](C)[C@]3(C[C@H](O)[C@@]4(C)C5=C(C(=O)C[C@@]43C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@@H]5O)O2)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0248766", "npaid": "NPA002328" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "LPZURWPKEZGETF-KMUNFCNLSA-N": { "inchikey": "LPZURWPKEZGETF-KMUNFCNLSA-N", "inchikey2D": "LPZURWPKEZGETF", "names": [ "(+)-applanatumol C", "(1s,10s,14r)-3,6,14-trihydroxy-12-oxatetracyclo[8.3.3.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-8,11-dione" ], "molecular_formula": "C15H14O6", "smiles": "O=C1C[C@@]23CC[C@@H](O)[C@@]2(COC3=O)c2c(O)ccc(O)c21", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0092313", "npaid": "NPA018182" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "CWKRZZXKJFNDBT-AXBDTHOQSA-N": { "inchikey": "CWKRZZXKJFNDBT-AXBDTHOQSA-N", "inchikey2D": "CWKRZZXKJFNDBT", "names": [ "3β,7β,15β-trihydroxy- 11,23-dioxo-lanost-8,16-dien-26-oic acid methyl ester", "methyl (6r)-6-[(3r,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O7", "smiles": "COC(=O)C(C)CC(=O)C[C@@H](C)C1=C[C@@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0256660", "npaid": "NPA011561" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "XIMQDJNNBMWDIH-VHPIRQCPSA-N": { "inchikey": "XIMQDJNNBMWDIH-VHPIRQCPSA-N", "inchikey2D": "XIMQDJNNBMWDIH", "names": [ "(4r)-4-[(1r,3ar,4s,5as,7s,9as,11s,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H40O7", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0078915" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JFSHUTJDVKUMTJ-QHPUVITPSA-N": { "inchikey": "JFSHUTJDVKUMTJ-QHPUVITPSA-N", "inchikey2D": "JFSHUTJDVKUMTJ", "names": [ "β-amyrin" ], "molecular_formula": "C30H50O", "smiles": "CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Wolfiporia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0251864" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Wolfiporia==Wolfiporia" ] }, "GHQBLEWBYHWXAC-IUPBLMLXSA-N": { "inchikey": "GHQBLEWBYHWXAC-IUPBLMLXSA-N", "inchikey2D": "GHQBLEWBYHWXAC", "names": [ "(2e,5s,6r)-6-[(1r,3s,3ar,4r,5ar,7s,9as,11ar)-4,7-bis(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C36H54O9", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]3OC(C)=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0217243" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AGUVWXMXJZLVKP-MBKRRSCOSA-N": { "inchikey": "AGUVWXMXJZLVKP-MBKRRSCOSA-N", "inchikey2D": "AGUVWXMXJZLVKP", "names": [ "(-)-lucidumone", "(1r,2r,10r,13r,14s,17r)-1-acetyl-5,8,17-trihydroxy-11-oxapentacyclo[11.3.1.0²,¹⁰.0⁴,⁹.0¹⁰,¹⁴]heptadeca-4,6,8-trien-3-one" ], "molecular_formula": "C18H18O6", "smiles": "CC(=O)[C@]12CC[C@H]3[C@H](CO[C@]34c3c(O)ccc(O)c3C(=O)[C@@H]41)[C@H]2O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0164941", "npaid": "NPA026854" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FGUBEKCWBCCEIB-NDKBUZNXSA-N": { "inchikey": "FGUBEKCWBCCEIB-NDKBUZNXSA-N", "inchikey2D": "FGUBEKCWBCCEIB", "names": [ "(5e)-6-[(1r,3r,5r,10s,14r,15r,17s,18s)-17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl]-2-methyl-4-oxohept-5-enoic acid", "Applanoxidic acid A" ], "molecular_formula": "C30H40O7", "smiles": "C/C(=C\\C(=O)CC(C)C(=O)O)[C@H]1C[C@H](O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0171965", "npaid": "NPA017561" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "FMWDHZPVFRVQMU-HNNXBMFYSA-N": { "inchikey": "FMWDHZPVFRVQMU-HNNXBMFYSA-N", "inchikey2D": "FMWDHZPVFRVQMU", "names": [ "(-)-applanatumol U", "(5s)-5-(2,5-dihydroxyphenyl)-3-(5-hydroxy-4-methylpent-3-en-1-yl)-5h-furan-2-one" ], "molecular_formula": "C16H18O5", "smiles": "CC(=CCCC1=C[C@@H](c2cc(O)ccc2O)OC1=O)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0113410", "npaid": "NPA012176" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "RERVSJVGWKIGTJ-UHFFFAOYSA-N": { "inchikey": "RERVSJVGWKIGTJ-UHFFFAOYSA-N", "inchikey2D": "RERVSJVGWKIGTJ", "names": [ "2-methyl-4-oxo-6-{3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}heptanoic acid" ], "molecular_formula": "C30H46O7", "smiles": "CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0258746" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GXKWNYCHKLAQPO-HPVVNCKISA-N": { "inchikey": "GXKWNYCHKLAQPO-HPVVNCKISA-N", "inchikey2D": "GXKWNYCHKLAQPO", "names": [ "(2e,5s,6s)-6-[(1r,3s,3ar,4r,5as,7r,9as,11ar)-3,7-bis(acetyloxy)-4-methoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C37H56O9", "smiles": 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"toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "SQJBJGSQYVYNPM-UHFFFAOYSA-N": { "inchikey": "SQJBJGSQYVYNPM-UHFFFAOYSA-N", "inchikey2D": "SQJBJGSQYVYNPM", "names": [ "3-hydroxy-1-[7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4-methoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C31H50O5", "smiles": "COC1CC2C(C)(C)C(=O)CCC2(C)C2=C1C1(C)C(O)CC(C(C)CCC=C(CO)CO)C1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0164209" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RJDPCEHRSNQFNS-UHFFFAOYSA-N": { "inchikey": "RJDPCEHRSNQFNS-UHFFFAOYSA-N", "inchikey2D": "RJDPCEHRSNQFNS", "names": [ 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[ "LOTUS" ], "external_ids": { "lotus_id": "LTS0161410" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KQKZINUOFUEGEI-CPTJETRHSA-N": { "inchikey": "KQKZINUOFUEGEI-CPTJETRHSA-N", "inchikey2D": "KQKZINUOFUEGEI", "names": [ "(2e,5s,6s)-6-[(1r,3s,3ar,5ar,7r,9as,11ar)-3-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O7", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0159731" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ADSMOOAVCKVHQK-UHFFFAOYSA-N": { "inchikey": "ADSMOOAVCKVHQK-UHFFFAOYSA-N", "inchikey2D": "ADSMOOAVCKVHQK", "names": [ "6-{9,17-dihydroxy-2,6,6,11,15-pentamethyl-5,12-dioxopentacyclo[8.7.0.0²,⁷.0³,¹⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O7", "smiles": "CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C4C(O)(CC12C)C1CC(=O)C(C)(C)C(CC3O)C41C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0259222" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "NACSDIWKTFLUJA-UHFFFAOYSA-N": { "inchikey": "NACSDIWKTFLUJA-UHFFFAOYSA-N", "inchikey2D": "NACSDIWKTFLUJA", "names": [ "8-oxa-17-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),2,4,6,10,15-hexaen-4-ol", "Lucidimine B" ], "molecular_formula": "C15H13NO2", "smiles": "Oc1ccc2c(c1)-c1ncc3c(c1CO2)CCC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0167019", "npaid": "NPA001466" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KZQCCTIIHZYRNR-NUTKFTJISA-N": { "inchikey": "KZQCCTIIHZYRNR-NUTKFTJISA-N", "inchikey2D": "KZQCCTIIHZYRNR", "names": [ "(+)-applanatumol L", "methyl (1s,2s,4s)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2,4-dihydroxy-3-methylidenecyclohexane-1-carboxylate" ], "molecular_formula": "C17H20O7", "smiles": "C=C1[C@@H](O)CC[C@@](CC(=O)c2cc(O)ccc2O)(C(=O)OC)[C@H]1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0112522", "npaid": "NPA016919" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "VOSMLEIXNQUDNH-UHFFFAOYSA-N": { "inchikey": "VOSMLEIXNQUDNH-UHFFFAOYSA-N", "inchikey2D": "VOSMLEIXNQUDNH", "names": [ "methyl 2-(2,5-dihydroxybenzoyl)-3-(3-oxoprop-1-en-2-yl)cyclopentane-1-carboxylate" ], "molecular_formula": "C17H18O6", "smiles": "C=C(C=O)C1CCC(C(=O)OC)C1C(=O)c1cc(O)ccc1O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0230848" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "KLJAWVAKODZGOX-NNFQMCRNSA-N": { "inchikey": "KLJAWVAKODZGOX-NNFQMCRNSA-N", "inchikey2D": "KLJAWVAKODZGOX", "names": [ "Butyl lucidenate P", "butyl (4r)-4-[(1r,3ar,4s,7s,9as,11s,11ar)-11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C33H50O8", "smiles": "CCCCOC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0143302", "npaid": "NPA006801" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZPVSRUZKKCORTI-VXJUOXCDSA-N": { "inchikey": "ZPVSRUZKKCORTI-VXJUOXCDSA-N", "inchikey2D": "ZPVSRUZKKCORTI", "names": [ "methyl (2r,5e)-6-[(1r,3s,3ar,5ar,7s,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoate" ], "molecular_formula": "C31H44O7", "smiles": "COC(=O)[C@H](C)CC(=O)/C=C(\\C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0087210" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "MJNJDEOIGYUNBO-XTQWKZIOSA-N": { "inchikey": "MJNJDEOIGYUNBO-XTQWKZIOSA-N", "inchikey2D": "MJNJDEOIGYUNBO", "names": [ "(+)-spirocochlealactone C", "(3s,4s)-3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-6-hydroxy-4'-(4-methylpent-3-en-1-yl)spiro[1-benzopyran-4,2'-furan]-2,5'-dione" ], "molecular_formula": "C37H42O8", "smiles": "CC(C)=CCCC1=C[C@]2(OC1=O)c1cc(O)ccc1OC(=O)[C@@]2(CC/C=C(\\C)CCC=C(C)C)CC(=O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0104862", "npaid": "NPA028199" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "ZGLOKAFKRCGNKC-XLIONFOSSA-N": { "inchikey": "ZGLOKAFKRCGNKC-XLIONFOSSA-N", "inchikey2D": "ZGLOKAFKRCGNKC", "names": [ "(1r,11s)-16-hydroxy-7,11-dimethyl-12-oxatetracyclo[9.7.1.0⁵,¹⁹.0¹³,¹⁸]nonadeca-5(19),7,13,15,17-pentaen-3-one", "Ganocin D" ], "molecular_formula": "C20H22O3", "smiles": "CC1=CCC[C@]2(C)Oc3ccc(O)cc3[C@H]3CC(=O)CC(=C32)C1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0214713", "npaid": "NPA009244" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "DIEUZIPSDUGWLD-DGRZRYCYSA-N": { "inchikey": "DIEUZIPSDUGWLD-DGRZRYCYSA-N", "inchikey2D": "DIEUZIPSDUGWLD", "names": [ "(5z)-6-[(3s,3ar,4s,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid", "Ganoderenic acid C" ], "molecular_formula": "C30H44O7", "smiles": "C/C(=C/C(=O)CC(C)C(=O)O)C1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0170754", "npaid": "NPA006451" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KQPHEVLEJQGFTM-JSMRCVIMSA-N": { "inchikey": "KQPHEVLEJQGFTM-JSMRCVIMSA-N", "inchikey2D": "KQPHEVLEJQGFTM", "names": [ "(2e,6r)-6-[(1r,3ar,5ar,6r,9as,11r,11ar)-6-({[(3s)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy}methyl)-11-hydroxy-3a,6,9a,11a-tetramethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoleucoin K" ], "molecular_formula": "C36H48O12", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0249139", "npaid": "NPA002335" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "IURJGJVSAQSDJJ-MDNRWGJGSA-N": { "inchikey": "IURJGJVSAQSDJJ-MDNRWGJGSA-N", "inchikey2D": "IURJGJVSAQSDJJ", "names": [ "Me lucidenate N", "methyl (4r)-4-[(1r,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C28H42O6", "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0139259", "npaid": "NPA005599" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "QIZQYDGATDXOSJ-IPNNGCFOSA-N": { "inchikey": "QIZQYDGATDXOSJ-IPNNGCFOSA-N", "inchikey2D": "QIZQYDGATDXOSJ", "names": [ "Ganodernoid E", "methyl (6r)-6-[(1r,3ar,4s,5ar,7s,9as,11r,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O8", "smiles": "COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0086699", "npaid": "NPA018471" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DMGHVFKVXXJZON-UHFFFAOYSA-N": { "inchikey": "DMGHVFKVXXJZON-UHFFFAOYSA-N", "inchikey2D": "DMGHVFKVXXJZON", "names": [ "methyl 6-{4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O8", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0092854" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OTUZGGSAOMCYNC-FHWYVJHPSA-N": { "inchikey": "OTUZGGSAOMCYNC-FHWYVJHPSA-N", "inchikey2D": "OTUZGGSAOMCYNC", "names": [ "(2e,6r)-6-[(1r,3s,3ar,7s,9as,11ar)-3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O6", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(\\C)C(=O)O)C[C@H](OC(C)=O)[C@@]4(C)C3=CCC2C1(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0240227" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HLIPHTRQCSGMCK-NSODJVPESA-N": { "inchikey": "HLIPHTRQCSGMCK-NSODJVPESA-N", "inchikey2D": "HLIPHTRQCSGMCK", "names": [ "(3r,4ar,9ar)-4a,7-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-1,2,3,9a-tetrahydroxanthene-4,9-dione", "Applanatin A" ], "molecular_formula": "C16H16O6", "smiles": "C=C(CO)[C@H]1CC[C@@H]2C(=O)c3cc(O)ccc3O[C@@]2(O)C1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0162458", "npaid": "NPA004321" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "RQDILRRBPSGCRC-ZWULQXGWSA-N": { "inchikey": "RQDILRRBPSGCRC-ZWULQXGWSA-N", "inchikey2D": "RQDILRRBPSGCRC", "names": [ "(6r)-6-[(3s,3as,5ar,7s,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "3β,15α-dihydroxy-11,23-dioxo-5α-lanosta-8,16-dien-26-oic acid" ], "molecular_formula": "C30H44O6", "smiles": "CC(CC(=O)C[C@@H](C)C1=C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0171861", "npaid": "NPA027923" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "GHQBLEWBYHWXAC-UHFFFAOYSA-N": { "inchikey": "GHQBLEWBYHWXAC-UHFFFAOYSA-N", "inchikey2D": "GHQBLEWBYHWXAC", "names": [ "5-(acetyloxy)-6-[4,7-bis(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C36H54O9", "smiles": "CC(=O)OC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)C(O)CC(C(C)C(CC=C(C)C(=O)O)OC(C)=O)C1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0101627" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DIXZQXARJMRUPX-GJVWFLRISA-N": { "inchikey": "DIXZQXARJMRUPX-GJVWFLRISA-N", "inchikey2D": "DIXZQXARJMRUPX", "names": [ "(2e,6r)-6-[(1r,3s,3ar,4r,5ar,7r,9as,11ar)-3,7-bis(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H52O7", "smiles": "CC(=O)O[C@H]1C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]2(C)CCC3=C([C@H](O)C[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0250249" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QHISNPNOLCHZEC-QWKSDNLZSA-N": { "inchikey": "QHISNPNOLCHZEC-QWKSDNLZSA-N", "inchikey2D": "QHISNPNOLCHZEC", "names": [ "20(21)-dehydrolucidenic acid N", "4-[(1r,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pent-4-enoic acid" ], "molecular_formula": "C27H38O6", "smiles": "C=C(CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0242754", "npaid": "NPA015173" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "WESQYFRWIXQVIZ-UHFFFAOYSA-N": { "inchikey": "WESQYFRWIXQVIZ-UHFFFAOYSA-N", "inchikey2D": "WESQYFRWIXQVIZ", "names": [ "methyl 4-{11-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoate" ], "molecular_formula": "C28H38O7", "smiles": "COC(=O)CCC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0164290" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QDYKZRXXERLQAX-UHFFFAOYSA-N": { "inchikey": "QDYKZRXXERLQAX-UHFFFAOYSA-N", "inchikey2D": "QDYKZRXXERLQAX", "names": [ "4-hydroxy-1-[7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-7,10-dione" ], "molecular_formula": "C30H46O5", "smiles": "CC(CCC=C(CO)CO)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0103450" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "OAHMOIXUYMVEMU-UHFFFAOYSA-N": { "inchikey": "OAHMOIXUYMVEMU-UHFFFAOYSA-N", "inchikey2D": "OAHMOIXUYMVEMU", "names": [ "6-hydroxy-2-methyl-4-oxo-6-{3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}heptanoic acid" ], "molecular_formula": "C30H44O8", "smiles": "CC(CC(=O)CC(C)(O)C1=CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0225246" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "BFDKCDVOVGIDSB-CLNHIPMDSA-N": { "inchikey": "BFDKCDVOVGIDSB-CLNHIPMDSA-N", "inchikey2D": "BFDKCDVOVGIDSB", "names": [ "Methyl applaniate A", "methyl (2s,6s)-6-[(3r,3as,3bs,5ar,7s,9as,11ar)-3,3b,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-4,11-dioxo-3h,5h,5ah,7h,8h,9h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O9", "smiles": "COC(=O)[C@@H](C)CC(=O)C[C@](C)(O)C1=C[C@@H](O)[C@@]2(C)[C@]3(O)C(=O)C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC(=O)[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0225172", "npaid": "NPA025886" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "AUHVNMOANKGXPA-GLXULCFXSA-N": { "inchikey": "AUHVNMOANKGXPA-GLXULCFXSA-N", "inchikey2D": "AUHVNMOANKGXPA", "names": [ "(6s,7s,9ar,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-6,7-diol", "Ergost-7,22-dien-3β,4α-diol" ], "molecular_formula": "C28H46O2", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)C1CCC2C3=CCC4[C@H](O)[C@@H](O)CC[C@]4(C)C3CC[C@@]21C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0139199", "npaid": "NPA024196" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "SFOQBXHAGFVBPZ-IKCBBQNGSA-N": { "inchikey": "SFOQBXHAGFVBPZ-IKCBBQNGSA-N", "inchikey2D": "SFOQBXHAGFVBPZ", "names": [ "(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-1-[(2s)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one" ], "molecular_formula": "C30H48O4", "smiles": "C[C@@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0238514" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LNMGLKYHDAZCDA-UHFFFAOYSA-N": { "inchikey": "LNMGLKYHDAZCDA-UHFFFAOYSA-N", "inchikey2D": "LNMGLKYHDAZCDA", "names": [ "6-{7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O8", "smiles": "CC(=CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0168838" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "SKTWPLRWZJQPGR-UHFFFAOYSA-N": { "inchikey": "SKTWPLRWZJQPGR-UHFFFAOYSA-N", "inchikey2D": "SKTWPLRWZJQPGR", "names": [ "6-hydroxy-6-[3-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O7", "smiles": "CC(=CCCC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(CO)C1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0157635" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HAVMVUFJSIMVDG-UHFFFAOYSA-N": { "inchikey": "HAVMVUFJSIMVDG-UHFFFAOYSA-N", "inchikey2D": "HAVMVUFJSIMVDG", "names": [ "4-[7,11-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H38O8", "smiles": "CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0237997" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NPQPGDYTXMOILM-UHFFFAOYSA-N": { "inchikey": "NPQPGDYTXMOILM-UHFFFAOYSA-N", "inchikey2D": "NPQPGDYTXMOILM", "names": [ "6-[11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C32H42O9", "smiles": "CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)=CC(=O)CC(C)C(=O)O)C12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0087739" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NPJICTMALKLTFW-UHFFFAOYSA-N": { "inchikey": "NPJICTMALKLTFW-UHFFFAOYSA-N", "inchikey2D": "NPJICTMALKLTFW", "names": [ "2-{[1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol" ], "molecular_formula": "C35H60O6", "smiles": "CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0158828" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "YKOBPCCHFIIFIF-UHFFFAOYSA-N": { "inchikey": "YKOBPCCHFIIFIF-UHFFFAOYSA-N", "inchikey2D": "YKOBPCCHFIIFIF", "names": [ "2-methyl-6-[3,7,11-tris(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]hept-2-enoic acid" ], "molecular_formula": "C36H52O8", "smiles": "CC(=O)OC1CCC2(C)C3=CC(OC(C)=O)C4(C)C(C(C)CCC=C(C)C(=O)O)CC(OC(C)=O)C4(C)C3=CCC2C1(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0245198" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UGJXEHKMCJXGAZ-YGXBQKDFSA-N": { "inchikey": "UGJXEHKMCJXGAZ-YGXBQKDFSA-N", "inchikey2D": "UGJXEHKMCJXGAZ", "names": [ "Fornicatin F", "methyl (4r)-4-[(3r,3ar,6s,9s,9br)-9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]pentanoate" ], "molecular_formula": "C29H44O6", "smiles": "C=C(C)C1C[C@H](O)C2=C(C(=O)C[C@]3(C)[C@@H]([C@H](C)CCC(=O)OC)CC[C@@]23C)[C@@]1(C)CCC(=O)OC", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0132469", "npaid": "NPA015283" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "BSEYIQDDZBVTJY-UHFFFAOYSA-N": { "inchikey": "BSEYIQDDZBVTJY-UHFFFAOYSA-N", "inchikey2D": "BSEYIQDDZBVTJY", "names": [ "6-{3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohexanoic acid" ], "molecular_formula": "C29H42O7", "smiles": "CC(CC(=O)CCC1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0165474" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ONEGFRCEZYDTTB-UHFFFAOYSA-N": { "inchikey": "ONEGFRCEZYDTTB-UHFFFAOYSA-N", "inchikey2D": "ONEGFRCEZYDTTB", "names": [ "4-[4-(3,3-dimethyloxiran-2-yl)-1,4-dioxobut-2-en-2-yl]cyclohexane-1-carboxylic acid" ], "molecular_formula": "C15H20O5", "smiles": "CC1(C)OC1C(=O)C=C(C=O)C1CCC(C(=O)O)CC1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0164611" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "UHLCOARQXDMCKI-SEJXEQBJSA-N": { "inchikey": "UHLCOARQXDMCKI-SEJXEQBJSA-N", "inchikey2D": "UHLCOARQXDMCKI", "names": [ "6-[(1r,3ar,5ar,6s,9as,11s,11ar)-11-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-hydroxy-2-methylhept-2-enoic acid", "Ganoleucoin V" ], "molecular_formula": "C30H40O9", "smiles": "CC(=CCC(O)C(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)[C@](C)(CO)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0138941", "npaid": "NPA028208" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "AUTTVRRIMYDHJY-MQIPJXDCSA-N": { "inchikey": "AUTTVRRIMYDHJY-MQIPJXDCSA-N", "inchikey2D": "AUTTVRRIMYDHJY", "names": [ "(2r,2'r,5's)-5-hydroxy-5'-(3-hydroxyprop-1-en-2-yl)-3-oxospiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylic acid", "Spiroapplanatumine L" ], "molecular_formula": "C16H16O6", "smiles": "C=C(CO)[C@@H]1CC[C@@H](C(=O)O)[C@]12Oc1ccc(O)cc1C2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0157412", "npaid": "NPA022124" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "MOFVVGMVATZKJM-OVSFNBESSA-N": { "inchikey": "MOFVVGMVATZKJM-OVSFNBESSA-N", "inchikey2D": "MOFVVGMVATZKJM", "names": [ "(2s,2'r,6's)-5-hydroxy-6'-(methoxycarbonyl)-3-oxospiro[1-benzofuran-2,1'-cycloheptane]-2'-carboxylic acid", "Spiroapplanatumine J" ], "molecular_formula": "C17H18O7", "smiles": "COC(=O)[C@H]1CCC[C@@H](C(=O)O)[C@]2(C1)Oc1ccc(O)cc1C2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0109762", "npaid": "NPA022122" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "RUEBMBLFAJUSGD-UHFFFAOYSA-N": { "inchikey": "RUEBMBLFAJUSGD-UHFFFAOYSA-N", "inchikey2D": "RUEBMBLFAJUSGD", "names": [ "6-[3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-2-enoic acid" ], "molecular_formula": "C34H48O7", "smiles": "CC(=O)OC1CCC2(C)C3=CCC4(C)C(C(C)CC(=O)C=C(C)C(=O)O)CC(OC(C)=O)C4(C)C3=CCC2C1(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0109804" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SXBOKJLQZQAVPU-UHFFFAOYSA-N": { "inchikey": "SXBOKJLQZQAVPU-UHFFFAOYSA-N", "inchikey2D": "SXBOKJLQZQAVPU", "names": [ "6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O7", "smiles": "CC(=CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0132526" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "YMBZMWGZXRRFEN-UHFFFAOYSA-N": { "inchikey": "YMBZMWGZXRRFEN-UHFFFAOYSA-N", "inchikey2D": "YMBZMWGZXRRFEN", "names": [ "2-[2-(2,5-dihydroxyphenyl)ethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoic acid" ], "molecular_formula": "C21H28O5", "smiles": "CC(=CCCC(C)=CCCC(=CCc1cc(O)ccc1O)C(=O)O)CO", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0131720" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "AZCYOYBNOUOOJJ-ICOUBGQFSA-N": { "inchikey": "AZCYOYBNOUOOJJ-ICOUBGQFSA-N", "inchikey2D": "AZCYOYBNOUOOJJ", "names": [ "methyl (2r,6r)-6-[(1r,3ar,5ar,7s,9as,11s,11ar)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O8", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0098425" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RNXUXOBDUSSLDU-POHAHGRESA-N": { "inchikey": "RNXUXOBDUSSLDU-POHAHGRESA-N", "inchikey2D": "RNXUXOBDUSSLDU", "names": [ "Petchiate A", "ethyl (2e)-3-[5-(hydroxymethyl)furan-2-yl]-4-oxopent-2-enoate" ], "molecular_formula": "C12H14O5", "smiles": "CCOC(=O)/C=C(/C(C)=O)c1ccc(CO)o1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0072765", "npaid": "NPA017929" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "APIDJSKOQBTKGH-YPQFLVNUSA-N": { "inchikey": "APIDJSKOQBTKGH-YPQFLVNUSA-N", "inchikey2D": "APIDJSKOQBTKGH", "names": [ "Methyl lucidenate K", "methyl 4-[(1r,3s,3as,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-decahydrocyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C28H42O6", "smiles": "COC(=O)CCC(C)[C@H]1C[C@H](O)[C@@]2(C)C3C(=O)CC4C(C)(C)C(=O)CC[C@]4(C)C3C(=O)C[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0133596", "npaid": "NPA026271" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OWPIQJAXQUDFDL-UHFFFAOYSA-N": { "inchikey": "OWPIQJAXQUDFDL-UHFFFAOYSA-N", "inchikey2D": "OWPIQJAXQUDFDL", "names": [ "2-(4a,7-dihydroxy-4,9-dioxo-1,2,3,9a-tetrahydroxanthen-3-yl)prop-2-enal" ], "molecular_formula": "C16H14O6", "smiles": "C=C(C=O)C1CCC2C(=O)c3cc(O)ccc3OC2(O)C1=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0228036" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "FKTBPUPWFHCNQN-DBVUQKKJSA-N": { "inchikey": "FKTBPUPWFHCNQN-DBVUQKKJSA-N", "inchikey2D": "FKTBPUPWFHCNQN", "names": [ "(-)-applanatumol G", "(3ar,4s,6as)-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3a-(dimethoxymethyl)-4-ethoxy-tetrahydrocyclopenta[c]furan-1-one" ], "molecular_formula": "C20H26O8", "smiles": "CCO[C@H]1CC[C@@]2(CC(=O)c3cc(O)ccc3O)C(=O)OC[C@@]12C(OC)OC", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0215306", "npaid": "NPA000458" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "DHVGHNKIHZKJJA-UHFFFAOYSA-N": { "inchikey": "DHVGHNKIHZKJJA-UHFFFAOYSA-N", "inchikey2D": "DHVGHNKIHZKJJA", "names": [ "3-hydroxy-2-methyl-4-oxo-6-{3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}heptanoic acid" ], "molecular_formula": "C30H46O8", "smiles": "CC(CC(=O)C(O)C(C)C(=O)O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0168994" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "ALKMYCYMILLNGY-DXLNJPRNSA-N": { "inchikey": "ALKMYCYMILLNGY-DXLNJPRNSA-N", "inchikey2D": "ALKMYCYMILLNGY", "names": [ "(±)-dayaolingzhiol D", "5-(2,5-dihydroxyphenyl)-3-[(3e,6e)-8-methoxy-4,8-dimethylnona-3,6-dien-1-yl]-5h-furan-2-one" ], "molecular_formula": "C22H28O5", "smiles": "COC(C)(C)/C=C/C/C(C)=C/CCC1=CC(c2cc(O)ccc2O)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0098611", "npaid": "NPA025732" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UEDNIAMTXNJXSQ-UHFFFAOYSA-N": { "inchikey": "UEDNIAMTXNJXSQ-UHFFFAOYSA-N", "inchikey2D": "UEDNIAMTXNJXSQ", "names": [ "methyl 6-{3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H42O8", "smiles": "COC(=O)C(C)CC(=O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0089507" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YCXUCEXEMJPDRZ-LPQIQZSBSA-N": { "inchikey": "YCXUCEXEMJPDRZ-LPQIQZSBSA-N", "inchikey2D": "YCXUCEXEMJPDRZ", "names": [ "6-[(3ar,9as,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H44O9", "smiles": "CC(=O)OC1C(=O)C2=C(C(=O)CC3C(C)(C)C(O)CC[C@]23C)[C@]2(C)C(=O)CC(C(C)CC(=O)CC(C)C(=O)O)[C@@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0135688" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KSROOTXYLRZSJU-VWAVGICVSA-N": { "inchikey": "KSROOTXYLRZSJU-VWAVGICVSA-N", "inchikey2D": "KSROOTXYLRZSJU", "names": [ "6-[(3r,3as,3bs,9as,11ar)-3,3b-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,7,11-trioxo-3h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H40O9", "smiles": "CC(CC(=O)CC(C)(O)C1=C[C@@H](O)[C@@]2(C)[C@]3(O)C(=O)CC4C(C)(C)C(=O)CC[C@]4(C)C3=CC(=O)[C@]12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0248228" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "ABIFCFYADLKZLB-RSHNMJPRSA-N": { "inchikey": "ABIFCFYADLKZLB-RSHNMJPRSA-N", "inchikey2D": "ABIFCFYADLKZLB", "names": [ "(+)-epogymnolactam", "(1r,5s)-4-butyl-6-oxa-3-azabicyclo[3.1.0]hex-2-ene-2,4-diol" ], "molecular_formula": "C8H13NO3", "smiles": "CCCCC1(O)N=C(O)[C@@H]2O[C@@H]21", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0098518", "npaid": "NPA015710" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KCQYWDVUFDEZQI-NHAQPNLUSA-N": { "inchikey": "KCQYWDVUFDEZQI-NHAQPNLUSA-N", "inchikey2D": "KCQYWDVUFDEZQI", "names": [ "6-[(1s,3s,6r,7s,10s,14r,17r,18s)-7,17-dihydroxy-6-(hydroxymethyl)-6,10,14,18-tetramethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O9", "smiles": "CC(CC(=O)CC(C)(O)C1=C[C@@H](O)[C@@]2(C)[C@]34O[C@H]3CC3[C@](C)(CC[C@H](O)[C@@]3(C)CO)C4=CC(=O)[C@]12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0138529" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "CVEGYVMAZQZPTH-UHFFFAOYSA-N": { "inchikey": "CVEGYVMAZQZPTH-UHFFFAOYSA-N", "inchikey2D": "CVEGYVMAZQZPTH", "names": [ "4-{7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoic acid" ], "molecular_formula": "C27H38O7", "smiles": "CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0155833" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JLYHPTKRTMHIPL-GMLWSQIBSA-N": { "inchikey": "JLYHPTKRTMHIPL-GMLWSQIBSA-N", "inchikey2D": "JLYHPTKRTMHIPL", "names": [ "(2s,6r)-6-[(1r,3ar,5ar,6r,9as,11ar)-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganohainanic acid B" ], "molecular_formula": "C30H44O6", "smiles": "C[C@@H](CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0248330", "npaid": "NPA007737" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "IHHXBJSQGKNHGK-FLIBITNWSA-N": { "inchikey": "IHHXBJSQGKNHGK-FLIBITNWSA-N", "inchikey2D": "IHHXBJSQGKNHGK", "names": [ "1-(2,5-dihydroxyphenyl)-2-[(1z)-3-methylcyclohex-2-en-1-ylidene]ethanone", "Lucidumin D" ], "molecular_formula": "C15H16O3", "smiles": "CC1=C/C(=C\\C(=O)c2cc(O)ccc2O)CCC1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0094008", "npaid": "NPA026931" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QBAAQLPBKJNUHF-YOZTVSFCSA-N": { "inchikey": "QBAAQLPBKJNUHF-YOZTVSFCSA-N", "inchikey2D": "QBAAQLPBKJNUHF", "names": [ "(2e,6r)-6-[(3ar,7s,9as,10r,11ar)-7,10-dihydroxy-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Resinacein D" ], "molecular_formula": "C30H46O5", "smiles": "C/C(=C\\CC[C@@H](C)C1CC[C@@]2(C)C3=C([C@H](O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0163719", "npaid": "NPA023678" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "OLACLXTZQVYOIP-UHFFFAOYSA-N": { "inchikey": "OLACLXTZQVYOIP-UHFFFAOYSA-N", "inchikey2D": "OLACLXTZQVYOIP", "names": [ "3a,6,6,9a,11a-pentamethyl-1-(2-methyl-5-oxooxolan-2-yl)-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-3,4,7,10-tetrone" ], "molecular_formula": "C27H34O6", "smiles": "CC1(C2CC(=O)C3(C)C4=C(C(=O)CC23C)C2(C)CCC(=O)C(C)(C)C2CC4=O)CCC(=O)O1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0266181" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SEOWBYMXTMBDQO-UHFFFAOYSA-N": { "inchikey": "SEOWBYMXTMBDQO-UHFFFAOYSA-N", "inchikey2D": "SEOWBYMXTMBDQO", "names": [ "4-{3a,6,6,9a,11a-pentamethyl-2,4,7,10,11-pentaoxo-1h,3h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl}pentanoic acid" ], "molecular_formula": "C27H34O7", "smiles": "CC(CCC(=O)O)C1C(=O)CC2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0252054" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RYLXRKOYYRVZBB-PPHPATTJSA-N": { "inchikey": "RYLXRKOYYRVZBB-PPHPATTJSA-N", "inchikey2D": "RYLXRKOYYRVZBB", "names": [ "linalool; linalool, (+-)-" ], "molecular_formula": "C20H36O2", "smiles": "C=CC(C)(O)CCC=C(C)C.C=C[C@](C)(O)CCC=C(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0127932" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YBRPSINOXZSXPS-HEEVUTDHSA-N": { "inchikey": "YBRPSINOXZSXPS-HEEVUTDHSA-N", "inchikey2D": "YBRPSINOXZSXPS", "names": [ "(2s,6r)-6-[(1r,3r,3ar,5ar,6r,9as,11ar)-6-[(acetyloxy)methyl]-3-hydroxy-3a,6,9a,11a-tetramethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Acetyl ganohainanic acid D" ], "molecular_formula": "C32H46O8", "smiles": "CC(=O)OC[C@]1(C)C(=O)CC[C@]2(C)C3=C(C(=O)C[C@H]21)[C@]1(C)[C@H](O)C[C@H]([C@H](C)CC(=O)C[C@H](C)C(=O)O)[C@@]1(C)CC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0251330", "npaid": "NPA004513" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "NAETYGPWGSNZTO-UBMXFPKPSA-N": { "inchikey": "NAETYGPWGSNZTO-UBMXFPKPSA-N", "inchikey2D": "NAETYGPWGSNZTO", "names": [ "(3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2r)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione", "Ganoderiol D" ], "molecular_formula": "C30H48O5", "smiles": "C[C@H](CCC(O)C(C)(O)CO)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0171640", "npaid": "NPA007887" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YNHPWMXJGUOPOK-ISTPORRPSA-N": { "inchikey": "YNHPWMXJGUOPOK-ISTPORRPSA-N", "inchikey2D": "YNHPWMXJGUOPOK", "names": [ "(3r,4ar,9ar)-4a,7-dihydroxy-3-[(2s)-1-hydroxypropan-2-yl]-1,2,3,9a-tetrahydroxanthene-4,9-dione" ], "molecular_formula": "C16H18O6", "smiles": "C[C@H](CO)[C@H]1CC[C@@H]2C(=O)c3cc(O)ccc3O[C@@]2(O)C1=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0113195" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "IIDSTQJQOPFISF-UHFFFAOYSA-N": { "inchikey": "IIDSTQJQOPFISF-UHFFFAOYSA-N", "inchikey2D": "IIDSTQJQOPFISF", "names": [ "6-hydroxy-2-(4-methylpent-3-en-1-yl)-4-oxo-3h-1-benzopyran-2-carboxylic acid", "Cochlearol K" ], "molecular_formula": "C16H18O5", "smiles": "CC(C)=CCCC1(C(=O)O)CC(=O)c2cc(O)ccc2O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0114081", "npaid": "NPA026903" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "CFBBUWFXWSYJHB-MAHJNVOUSA-N": { "inchikey": "CFBBUWFXWSYJHB-MAHJNVOUSA-N", "inchikey2D": "CFBBUWFXWSYJHB", "names": [ "(2z,6r)-6-[(1r,3ar,5as,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enal" ], "molecular_formula": "C30H46O3", "smiles": "C/C(C=O)=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0166343" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ALBRPHJUQRKZLQ-JQWRWUKXSA-N": { "inchikey": "ALBRPHJUQRKZLQ-JQWRWUKXSA-N", "inchikey2D": "ALBRPHJUQRKZLQ", "names": [ "(2e,6r)-6-[(1r,3ar,4r,5as,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enal" ], "molecular_formula": "C30H46O3", "smiles": "C/C(C=O)=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0267827" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LJZQIADPDIJWDQ-UHFFFAOYSA-N": { "inchikey": "LJZQIADPDIJWDQ-UHFFFAOYSA-N", "inchikey2D": "LJZQIADPDIJWDQ", "names": [ "2-methyl-4-oxo-6-{3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}hexanoic acid" ], "molecular_formula": "C29H44O7", "smiles": "CC(CC(=O)CCC1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0163691" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XMBMRJGNNOUNJL-BRJCVRGZSA-N": { "inchikey": "XMBMRJGNNOUNJL-BRJCVRGZSA-N", "inchikey2D": "XMBMRJGNNOUNJL", "names": [ "6-[(1r,3as,4r,5as,9ar,11as)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4,6-dihydroxy-2-methylheptanoic acid", "7β,20,23ξ-trihydroxy-3,11,15-trioxolanosta-8-en-26-oic acid" ], "molecular_formula": "C30H44O8", "smiles": "CC(CC(O)CC(C)(O)[C@@H]1CC(=O)[C@]2(C)C3=C(C(=O)C[C@@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0163190", "npaid": "NPA016034" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "LVGXQNCCBAHXHL-VFYJUMGDSA-N": { "inchikey": "LVGXQNCCBAHXHL-VFYJUMGDSA-N", "inchikey2D": "LVGXQNCCBAHXHL", "names": [ "3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2r)-2-[(3ar,5ar,7r)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoate", "Tsugarioside A" ], "molecular_formula": "C38H60O9", "smiles": "CC(=O)O[C@@H]1CCC2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CCC([C@@H](CCC=C(C)C)C(=O)OC2OC(CO)C(O)C(O)C2O)C1(C)CC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0120320", "npaid": "NPA014937" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "AZCYOYBNOUOOJJ-XCGUVLABSA-N": { "inchikey": "AZCYOYBNOUOOJJ-XCGUVLABSA-N", "inchikey2D": "AZCYOYBNOUOOJJ", "names": [ "methyl (2r,6s)-6-[(1r,3ar,5as,7s,9as,11s,11ar)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O8", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0131662" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XITBGHDSLKRVMR-GJGAYOQOSA-N": { "inchikey": "XITBGHDSLKRVMR-GJGAYOQOSA-N", "inchikey2D": "XITBGHDSLKRVMR", "names": [ "(2e,5r)-6-[(1r,3s,3ar,7r,9as,11ar)-3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-hydroxy-2-methylhept-2-enoic acid", "3a, 15a-diacetoxy-22a-hydroxylanosta-7,9(11),24- trien-26-oic acid" ], "molecular_formula": "C34H50O7", "smiles": "CC(=O)O[C@H]1C[C@H](C(C)[C@H](O)C/C=C(\\C)C(=O)O)[C@@]2(C)CC=C3C(=CCC4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0111720", "npaid": "NPA001932" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HUTCYUJPLOTDMX-UHFFFAOYSA-N": { "inchikey": "HUTCYUJPLOTDMX-UHFFFAOYSA-N", "inchikey2D": "HUTCYUJPLOTDMX", "names": [ "6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H46O3", "smiles": "CC(=CCCC(C)C1CCC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0133222" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LOMAZNWIDBIYLW-UXLUFUOLSA-N": { "inchikey": "LOMAZNWIDBIYLW-UXLUFUOLSA-N", "inchikey2D": "LOMAZNWIDBIYLW", "names": [ "(6r)-6-[(1r,3ar,5ar,6s,7s,9as,11s,11ar)-6-({[(3s)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy}methyl)-7,11-dihydroxy-3a,6,9a,11a-tetramethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoleucoin Y" ], "molecular_formula": "C36H50O12", "smiles": "CC(=CCC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0113937", "npaid": "NPA028211" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "SFTWOKAXUANPBE-UHFFFAOYSA-N": { "inchikey": "SFTWOKAXUANPBE-UHFFFAOYSA-N", "inchikey2D": "SFTWOKAXUANPBE", "names": [ "Cochlearol V", "methyl 2-hydroxy-6,6-dimethylbenzo[c]chromene-9-carboxylate" ], "molecular_formula": "C17H16O4", "smiles": "COC(=O)c1ccc2c(c1)-c1cc(O)ccc1OC2(C)C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0249735", "npaid": "NPA025924" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "VOPDCPFNKBMDFA-UHFFFAOYSA-N": { "inchikey": "VOPDCPFNKBMDFA-UHFFFAOYSA-N", "inchikey2D": "VOPDCPFNKBMDFA", "names": [ "6-{11-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H38O8", "smiles": "CC(=CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0115070" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YSBMLQVCOATJAG-BDSXUYNDSA-N": { "inchikey": "YSBMLQVCOATJAG-BDSXUYNDSA-N", "inchikey2D": "YSBMLQVCOATJAG", "names": [ "(2s,5e)-6-[(1r,3r,3ar,5ar,9as,11s,11ar)-3,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid", "Gibbosic acid K" ], "molecular_formula": "C30H42O7", "smiles": "C/C(=C\\C(=O)C[C@H](C)C(=O)O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0253675", "npaid": "NPA025425" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "XXKAPAYWTQDHCB-PHOZQINFSA-N": { "inchikey": "XXKAPAYWTQDHCB-PHOZQINFSA-N", "inchikey2D": "XXKAPAYWTQDHCB", "names": [ "(2s,6s)-6-[(1s,3s,5r,7s,10r,14r,17r,18s)-7,17-dihydroxy-10-(hydroxymethyl)-6,6,14,18-tetramethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O9", "smiles": "C[C@@H](CC(=O)C[C@](C)(O)C1=C[C@@H](O)[C@@]2(C)[C@]34O[C@H]3C[C@H]3C(C)(C)[C@@H](O)CC[C@]3(CO)C4=CC(=O)[C@]12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0188217" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "IBGBGRVKPALMCQ-UHFFFAOYSA-N": { "inchikey": "IBGBGRVKPALMCQ-UHFFFAOYSA-N", "inchikey2D": "IBGBGRVKPALMCQ", "names": [ "3,4-dihydroxybenzaldehyde" ], "molecular_formula": "C7H6O3", "smiles": "O=Cc1ccc(O)c(O)c1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus", "[query-hint] Phellinus", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0251601" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus", "INCLUDE:Phellinus==Phellinus" ] }, "ZHZRHASCKKRCIY-SNLAREEVSA-N": { "inchikey": "ZHZRHASCKKRCIY-SNLAREEVSA-N", "inchikey2D": "ZHZRHASCKKRCIY", "names": [ "(1s,3ar,4s,5ar,9as,11r,11ar)-4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2s)-2-methyl-5-oxooxolan-2-yl]-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-3,7,10-trione", "Ganoderlactone A" ], "molecular_formula": "C27H36O7", "smiles": "CC1(C)C(=O)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)C(=O)C[C@H]([C@]2(C)CCC(=O)O2)[C@@]1(C)[C@@H](O)C3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0235295", "npaid": "NPA005350" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PILMPTUAXYPAME-KKYGLDRZSA-N": { "inchikey": "PILMPTUAXYPAME-KKYGLDRZSA-N", "inchikey2D": "PILMPTUAXYPAME", "names": [ "(2e,4s,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid", "23S-hydroxy-3,7,11,15-tetraoxo-lanost-8,24E-diene-26-oicacid" ], "molecular_formula": "C30H40O7", "smiles": "C/C(=C\\[C@@H](O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0185376", "npaid": "NPA013018" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NOXQLVJQLGRLCH-UHFFFAOYSA-N": { "inchikey": "NOXQLVJQLGRLCH-UHFFFAOYSA-N", "inchikey2D": "NOXQLVJQLGRLCH", "names": [ "1-(1-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C30H50O2", "smiles": "CC(C)=CCCC(CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0099184" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "LPZURWPKEZGETF-NZVBXONLSA-N": { "inchikey": "LPZURWPKEZGETF-NZVBXONLSA-N", "inchikey2D": "LPZURWPKEZGETF", "names": [ "(+)-lingzhiol", "(1r,10r,14s)-3,6,14-trihydroxy-12-oxatetracyclo[8.3.3.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-8,11-dione" ], "molecular_formula": "C15H14O6", "smiles": "O=C1C[C@]23CC[C@H](O)[C@]2(COC3=O)c2c(O)ccc(O)c21", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0177599", "npaid": "NPA018761" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LDHARSAUIVWVIT-UHFFFAOYSA-N": { "inchikey": "LDHARSAUIVWVIT-UHFFFAOYSA-N", "inchikey2D": "LDHARSAUIVWVIT", "names": [ "2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-methylhept-5-enoic acid" ], "molecular_formula": "C16H20O5", "smiles": "CC(C)=CCCC(CC(=O)c1cc(O)ccc1O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0175867" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "XJXZBYGMEHOTKU-SGPVYNPZSA-N": { "inchikey": "XJXZBYGMEHOTKU-SGPVYNPZSA-N", "inchikey2D": "XJXZBYGMEHOTKU", "names": [ "(9s,13r,14r,17r)-9-hydroxy-8,8,13,17-tetramethyl-16-[(1s)-1-[(2r)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-oxo-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-14-yl acetate" ], "molecular_formula": "C32H42O7", "smiles": "CC(=O)O[C@@H]1CC([C@H](C)[C@H]2CC=C(C)C(=O)O2)[C@@]2(C)CCC3=C(CC[C@]4(O)C(=C3)C=CC(=O)OC4(C)C)[C@]12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0117308" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "ZTKZZRIVAYGFSF-NWAUBMJXSA-N": { "inchikey": "ZTKZZRIVAYGFSF-NWAUBMJXSA-N", "inchikey2D": "ZTKZZRIVAYGFSF", "names": [ "6-[(3ar,5as,9as,11ar)-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O4", "smiles": "CC(=CCCC(C)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0173777" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OCEDEURDZRRULA-SXTUCIETSA-N": { "inchikey": "OCEDEURDZRRULA-SXTUCIETSA-N", "inchikey2D": "OCEDEURDZRRULA", "names": [ "Butyl ganoderate B", "butyl (2r,6r)-6-[(1r,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C34H52O7", "smiles": "CCCCOC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0157892", "npaid": "NPA004411" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YBGBNHHXOJXFNM-UHFFFAOYSA-N": { "inchikey": "YBGBNHHXOJXFNM-UHFFFAOYSA-N", "inchikey2D": "YBGBNHHXOJXFNM", "names": [ "4-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoic acid" ], "molecular_formula": "C27H40O6", "smiles": "CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0184519" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "TWZIYFUINRYVHC-BLLLJJGKSA-N": { "inchikey": "TWZIYFUINRYVHC-BLLLJJGKSA-N", "inchikey2D": "TWZIYFUINRYVHC", "names": [ "(2r,7'r)-3'-formyl-5-hydroxy-3-oxospiro[1-benzofuran-2,1'-cycloheptan]-3'-ene-7'-carboxylic acid", "Spiroapplanatumine H" ], "molecular_formula": "C16H14O6", "smiles": "O=CC1=CCC[C@@H](C(=O)O)[C@@]2(C1)Oc1ccc(O)cc1C2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0185374", "npaid": "NPA022139" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "COYTTWFFTMZTSQ-UMYWFGJBSA-N": { "inchikey": "COYTTWFFTMZTSQ-UMYWFGJBSA-N", "inchikey2D": "COYTTWFFTMZTSQ", "names": [ "(+)-cochlearoid Q", "2-{2-[(1r,2s,5s)-10,14-dihydroxy-5-(methoxycarbonyl)-2-(prop-1-en-2-yl)-6,18-dioxapentacyclo[9.7.1.1¹,⁵.0⁷,¹⁹.0¹²,¹⁷]icosa-7(19),8,10,12,14,16-hexaen-16-yl]ethylidene}-6,10-dimethylundeca-5,9-dienoic acid" ], "molecular_formula": "C38H44O8", "smiles": "C=C(C)[C@@H]1CC[C@@]2(C(=O)OC)C[C@@]13Oc1c(CC=C(CCC=C(C)CCC=C(C)C)C(=O)O)cc(O)cc1-c1c(O)ccc(c13)O2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0183272", "npaid": "NPA027951" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "FDBJWQHOGLAJOW-GLONDKPASA-N": { "inchikey": "FDBJWQHOGLAJOW-GLONDKPASA-N", "inchikey2D": "FDBJWQHOGLAJOW", "names": [ "(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2r)-2-[(1r,3ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoate", "Ganosinoside A" ], "molecular_formula": "C36H56O8", "smiles": "CC(C)=CCC[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0133171", "npaid": "NPA002352" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "OJDWINNMESMCGK-UHFFFAOYSA-N": { "inchikey": "OJDWINNMESMCGK-UHFFFAOYSA-N", "inchikey2D": "OJDWINNMESMCGK", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl hexadecanoate" ], "molecular_formula": "C44H74O2", "smiles": "CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(=CC=C3C2CCC2(C)C3CCC2C(C)C=CC(C)C(C)C)C1", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0125725" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "UVKCTPQUWRXRPX-UHFFFAOYSA-N": { "inchikey": "UVKCTPQUWRXRPX-UHFFFAOYSA-N", "inchikey2D": "UVKCTPQUWRXRPX", "names": [ "methyl 6-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O7", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0186846" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SFOQBXHAGFVBPZ-MBIQVUAUSA-N": { "inchikey": "SFOQBXHAGFVBPZ-MBIQVUAUSA-N", "inchikey2D": "SFOQBXHAGFVBPZ", "names": [ "(1r,3ar,5as,7s,9as,11ar)-7-hydroxy-1-[(2r)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one" ], "molecular_formula": "C30H48O4", "smiles": "C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0189831" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DIXZQXARJMRUPX-NCCBCIMESA-N": { "inchikey": "DIXZQXARJMRUPX-NCCBCIMESA-N", "inchikey2D": "DIXZQXARJMRUPX", "names": [ "(2e,6r)-6-[(1r,3s,3ar,4r,5as,7s,9as,11ar)-3,7-bis(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H52O7", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](O)C[C@@H]2C1(C)C)[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]1(C)CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0091017" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PRJBNEAPLDQWLQ-UHFFFAOYSA-N": { "inchikey": "PRJBNEAPLDQWLQ-UHFFFAOYSA-N", "inchikey2D": "PRJBNEAPLDQWLQ", "names": [ "4-hydroxy-6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H42O7", "smiles": "CC(=CC(O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0185812" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WESQYFRWIXQVIZ-KGXWFZIOSA-N": { "inchikey": "WESQYFRWIXQVIZ-KGXWFZIOSA-N", "inchikey2D": "WESQYFRWIXQVIZ", "names": [ "methyl (4r)-4-[(1r,3ar,5ar,9as,11r,11ar)-11-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C28H38O7", "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0273797" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ 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Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0231632" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "UGJXEHKMCJXGAZ-UHFFFAOYSA-N": { "inchikey": "UGJXEHKMCJXGAZ-UHFFFAOYSA-N", "inchikey2D": "UGJXEHKMCJXGAZ", "names": [ "methyl 4-[9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]pentanoate" ], "molecular_formula": "C29H44O6", "smiles": "C=C(C)C1CC(O)C2=C(C(=O)CC3(C)C(C(C)CCC(=O)OC)CCC23C)C1(C)CCC(=O)OC", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0120046" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "MMVSNLKSAHIETF-ZZAHPFGNSA-N": { "inchikey": "MMVSNLKSAHIETF-ZZAHPFGNSA-N", "inchikey2D": "MMVSNLKSAHIETF", "names": [ "(1r,3s,9ar,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-3-hydroxy-9a,11a-dimethyl-1h,2h,3h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one", "Ganodermaside A" ], "molecular_formula": "C28H40O2", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1C[C@H](O)C2=C3C=CC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0264973", "npaid": "NPA004336" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JLFXEDLGDDWQPQ-OGRUGFPUSA-N": { "inchikey": "JLFXEDLGDDWQPQ-OGRUGFPUSA-N", "inchikey2D": "JLFXEDLGDDWQPQ", "names": [ "(2r,6r)-6-[(1r,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-6,6,9a,11a-tetramethyl-3,10-dioxo-1h,2h,3ah,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C29H42O7", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0119759" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "UPFROXHCAPHGNO-MHOQKGQJSA-N": { "inchikey": "UPFROXHCAPHGNO-MHOQKGQJSA-N", "inchikey2D": "UPFROXHCAPHGNO", "names": [ "methyl (2r,6r)-6-[(1s,3r,8s,12r,13r,15s,20r)-4,4,8,12,17,17,20-heptamethyl-5,10-dioxo-16,18-dioxapentacyclo[10.6.2.0³,⁸.0⁹,¹⁹.0¹⁵,²⁰]icos-9(19)-en-13-yl]-2-methyl-4-oxoheptanoate", "methyl ganoderate A acetonide" ], "molecular_formula": "C34H50O7", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@@H]2OC(C)(C)O[C@H]3C[C@H]4C(C)(C)C(=O)CC[C@]4(C)C4=C3[C@@]2(C)[C@]1(C)CC4=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0180669", "npaid": "NPA000961" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SUTMBPWDBAUJCG-UHFFFAOYSA-N": { "inchikey": "SUTMBPWDBAUJCG-UHFFFAOYSA-N", "inchikey2D": "SUTMBPWDBAUJCG", "names": [ "6-[7-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-2-enoic acid" ], "molecular_formula": "C32H46O6", "smiles": "CC(=O)OC1CCC2(C)C3=CCC4(C)C(C(C)CC(=O)C=C(C)C(=O)O)CC(O)C4(C)C3=CCC2C1(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0257950" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SDFJPBYTEBEOLV-UHFFFAOYSA-N": { "inchikey": "SDFJPBYTEBEOLV-UHFFFAOYSA-N", "inchikey2D": "SDFJPBYTEBEOLV", "names": [ "methyl 3'-formyl-5-hydroxy-3-oxospiro[1-benzofuran-2,1'-cycloheptan]-3'-ene-7'-carboxylate" ], "molecular_formula": "C17H16O6", "smiles": "COC(=O)C1CCC=C(C=O)CC12Oc1ccc(O)cc1C2=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0119608" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "FKTBPUPWFHCNQN-UHFFFAOYSA-N": { "inchikey": "FKTBPUPWFHCNQN-UHFFFAOYSA-N", "inchikey2D": "FKTBPUPWFHCNQN", "names": [ "6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3a-(dimethoxymethyl)-4-ethoxy-tetrahydrocyclopenta[c]furan-1-one" ], "molecular_formula": "C20H26O8", "smiles": "CCOC1CCC2(CC(=O)c3cc(O)ccc3O)C(=O)OCC12C(OC)OC", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0162740" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "XZFXVBWSDABZIS-KWJIGKFDSA-N": { "inchikey": "XZFXVBWSDABZIS-KWJIGKFDSA-N", "inchikey2D": "XZFXVBWSDABZIS", "names": [ "(2s,5e)-2-(5-hydroxy-1-benzofuran-2-yl)-6,10-dimethylundeca-5,9-dienoic acid" ], "molecular_formula": "C21H26O4", "smiles": "CC(C)=CCC/C(C)=C/CC[C@H](C(=O)O)c1cc2cc(O)ccc2o1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0118308" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UGYIDRFXVRAGAP-FBQVLDQFSA-N": { "inchikey": "UGYIDRFXVRAGAP-FBQVLDQFSA-N", "inchikey2D": "UGYIDRFXVRAGAP", "names": [ "(1r,3ar,5ar,9as,11ar)-1-[(2r,5e)-1,7-dihydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione", "21-hydroxy-3,7-dioxo-5α-lanost-8,24E-dien-26-ol" ], "molecular_formula": "C30H46O4", "smiles": "C/C(=C\\CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0162932", "npaid": "NPA001032" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "KLJAWVAKODZGOX-UHFFFAOYSA-N": { "inchikey": "KLJAWVAKODZGOX-UHFFFAOYSA-N", "inchikey2D": "KLJAWVAKODZGOX", "names": [ "butyl 4-[11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C33H50O8", "smiles": "CCCCOC(=O)CCC(C)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0256643" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SZXITMVEKFHHKF-UHFFFAOYSA-N": { "inchikey": "SZXITMVEKFHHKF-UHFFFAOYSA-N", "inchikey2D": "SZXITMVEKFHHKF", "names": [ "7',17',20'-trihydroxy-1',4,6',6',10',17',21'-heptamethyl-14'-oxaspiro[oxolane-2,15'-pentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicosane]-2'(11'),18'-diene-3',5,12'-trione" ], "molecular_formula": "C30H40O8", "smiles": "CC1CC2(CC(C)(O)C3=CC(O)C4(C)C5=C(C(=O)C(O2)C34C)C2(C)CCC(O)C(C)(C)C2CC5=O)OC1=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0231868" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "AMQGNLQZSMPDGV-DUUWRNHESA-N": { "inchikey": "AMQGNLQZSMPDGV-DUUWRNHESA-N", "inchikey2D": "AMQGNLQZSMPDGV", "names": [ "(2e,6r)-6-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoderic acid GS-1" ], "molecular_formula": "C30H42O6", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0111806", "npaid": "NPA008441" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "NJFJGIWHAUNTHB-UHFFFAOYSA-N": { "inchikey": "NJFJGIWHAUNTHB-UHFFFAOYSA-N", "inchikey2D": "NJFJGIWHAUNTHB", "names": [ "6-[3-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O7", "smiles": "CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(CO)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0188188" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "PLGMDEYIMRPUAI-MJVIPROJSA-N": { "inchikey": "PLGMDEYIMRPUAI-MJVIPROJSA-N", "inchikey2D": "PLGMDEYIMRPUAI", "names": [ "(-)-applanatumol V", "(1s,2s,3r)-2-(2,5-dihydroxybenzoyl)-3-(3-oxoprop-1-en-2-yl)cyclopentane-1-carboxylic acid" ], "molecular_formula": "C16H16O6", "smiles": "C=C(C=O)[C@@H]1CC[C@H](C(=O)O)[C@H]1C(=O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0162678", "npaid": "NPA013747" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "BCZACVDBVIYNMZ-VXLYETTFSA-N": { "inchikey": "BCZACVDBVIYNMZ-VXLYETTFSA-N", "inchikey2D": "BCZACVDBVIYNMZ", "names": [ "(2e)-5-(acetyloxy)-6-[7-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O7", "smiles": "CC(=O)OC(C/C=C(\\C)C(=O)O)C(C)C1CC(O)C2(C)C3=CCC4C(C)(CCC(OC(C)=O)C4(C)C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0104515" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OTUZGGSAOMCYNC-HQGDWPTRSA-N": { "inchikey": "OTUZGGSAOMCYNC-HQGDWPTRSA-N", "inchikey2D": "OTUZGGSAOMCYNC", "names": [ "(2e,6r)-6-[(1r,3r,3ar,5ar,7r,9as,11ar)-3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganodermic acid S" ], "molecular_formula": "C34H50O6", "smiles": "CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(\\C)C(=O)O)C[C@@H](OC(C)=O)[C@@]4(C)C3=CC[C@H]2C1(C)C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0266854", "npaid": "NPA012687" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AECSEKNULZXYNZ-UHFFFAOYSA-N": { "inchikey": "AECSEKNULZXYNZ-UHFFFAOYSA-N", "inchikey2D": "AECSEKNULZXYNZ", "names": [ "5-(acetyloxy)-6-[3,7-bis(acetyloxy)-4-ethoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C38H58O9", "smiles": "CCOC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)C(OC(C)=O)CC(C(C)C(CC=C(C)C(=O)O)OC(C)=O)C1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0262735" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WQMDPDQGTLRSTR-NSIFHFCWSA-N": { "inchikey": "WQMDPDQGTLRSTR-NSIFHFCWSA-N", "inchikey2D": "WQMDPDQGTLRSTR", "names": [ "Butyl ganoderate A", "butyl (2r,6r)-6-[(1r,3s,3ar,4s,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C34H52O7", "smiles": "CCCCOC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0104359", "npaid": "NPA005537" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JBNSWBQCNNDILB-QFNXXQKWSA-N": { "inchikey": "JBNSWBQCNNDILB-QFNXXQKWSA-N", "inchikey2D": "JBNSWBQCNNDILB", "names": [ "(2e,6r)-6-[(1r,3ar,5ar,6r,9as,11r,11ar)-11-(acetyloxy)-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoleuconin F" ], "molecular_formula": "C32H42O9", "smiles": "CC(=O)O[C@H]1C(=O)C2=C(C(=O)C[C@@H]3[C@]2(C)CCC(=O)[C@@]3(C)CO)[C@]2(C)C(=O)C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0187941", "npaid": "NPA018895" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "JICYAOVVIDYKJQ-UHFFFAOYSA-N": { "inchikey": "JICYAOVVIDYKJQ-UHFFFAOYSA-N", "inchikey2D": "JICYAOVVIDYKJQ", "names": [ "6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H46O4", "smiles": "CC(=CCCC(C)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0189742" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "HANKWAXOCUEZTC-UHFFFAOYSA-N": { "inchikey": "HANKWAXOCUEZTC-UHFFFAOYSA-N", "inchikey2D": "HANKWAXOCUEZTC", "names": [ "4,4,6a,6b,8a,11,11,14b-octamethyl-2,6,7,8,9,10,12,12a,14,14a-decahydro-1h-picen-3-one" ], "molecular_formula": "C30H46O", "smiles": "CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5=CCC43C)C2C1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0125392" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "DSPRCJFPUNBSJW-UHFFFAOYSA-N": { "inchikey": "DSPRCJFPUNBSJW-UHFFFAOYSA-N", "inchikey2D": "DSPRCJFPUNBSJW", "names": [ "10-hydroxy-5-methyl-2-(propan-2-ylidene)-6-oxatetracyclo[11.4.0.0¹,⁵.0⁷,¹²]heptadeca-7,9,11,13-tetraen-15-one" ], "molecular_formula": "C20H22O3", "smiles": "CC(C)=C1CCC2(C)Oc3ccc(O)cc3C3=CC(=O)CCC312", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0108688" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "PHYFQTYBJUILEZ-WUOFIQDXSA-N": { "inchikey": "PHYFQTYBJUILEZ-WUOFIQDXSA-N", "inchikey2D": "PHYFQTYBJUILEZ", "names": [ "trioleate" ], "molecular_formula": "C57H104O6", "smiles": "CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0173252" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "NEYFZTSOEPMHGQ-UHFFFAOYSA-N": { "inchikey": "NEYFZTSOEPMHGQ-UHFFFAOYSA-N", "inchikey2D": "NEYFZTSOEPMHGQ", "names": [ "4-hydroxy-3a,6,6,9a,11a-pentamethyl-1-(2-methyl-5-oxooxolan-2-yl)-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-3,7,10-trione" ], "molecular_formula": "C27H36O6", "smiles": "CC1(C2CC(=O)C3(C)C4=C(C(=O)CC23C)C2(C)CCC(=O)C(C)(C)C2CC4O)CCC(=O)O1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0090236" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AUAXRALNWSHMRJ-PADVHSITSA-N": { "inchikey": "AUAXRALNWSHMRJ-PADVHSITSA-N", "inchikey2D": "AUAXRALNWSHMRJ", "names": [ "(2e,4r,6s)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O6", "smiles": "C/C(=C\\[C@H](O)C[C@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0104898" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AAJIHHYEPHRIET-JNAHJFNHSA-N": { "inchikey": "AAJIHHYEPHRIET-JNAHJFNHSA-N", "inchikey2D": "AAJIHHYEPHRIET", "names": [ "(1r,3ar,9as,11ar)-1-[(2r,5s)-5,6-dihydroxy-6-methylheptan-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one", "Ganodermanondiol" ], "molecular_formula": "C30H48O3", "smiles": "C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0106869", "npaid": "NPA015829" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KAAPPNYFWFPISZ-UHFFFAOYSA-N": { "inchikey": "KAAPPNYFWFPISZ-UHFFFAOYSA-N", "inchikey2D": "KAAPPNYFWFPISZ", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl pentadecanoate" ], "molecular_formula": "C43H74O2", "smiles": "CCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CC=C3C2CCC2(C)C3CCC2C(C)C=CC(C)C(C)C)C1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0259546" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RHUOPMPJXWNRKL-LJANSZIASA-N": { "inchikey": "RHUOPMPJXWNRKL-LJANSZIASA-N", "inchikey2D": "RHUOPMPJXWNRKL", "names": [ "(4s)-4-[(1s,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxypentanoic acid" ], "molecular_formula": "C27H36O7", "smiles": "CC1(C)C(=O)CC[C@]2(C)C3=C(C(=O)C[C@@H]12)[C@]1(C)C(=O)C[C@H]([C@@](C)(O)CCC(=O)O)[C@@]1(C)CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0174788" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CVEGYVMAZQZPTH-KMHIRZPESA-N": { "inchikey": "CVEGYVMAZQZPTH-KMHIRZPESA-N", "inchikey2D": "CVEGYVMAZQZPTH", "names": [ "(4r)-4-[(1r,3ar,5ar,7s,9as,11s,11ar)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H38O7", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0088317" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FKJPUWHTFMQAOG-UHFFFAOYSA-N": { "inchikey": "FKJPUWHTFMQAOG-UHFFFAOYSA-N", "inchikey2D": "FKJPUWHTFMQAOG", "names": [ "6-{7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-4-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H42O8", "smiles": "CC(=CC(O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0259926" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VQGRARXMDOEPFR-CWPIAFIOSA-N": { "inchikey": "VQGRARXMDOEPFR-CWPIAFIOSA-N", "inchikey2D": "VQGRARXMDOEPFR", "names": [ "(+)-(5α,24E)-3β,11α-dihydroxylanosta-8,24-dien-7-oxo-26-AL", "(2e,6r)-6-[(1r,3ar,5ar,7s,9as,10r,11ar)-7,10-dihydroxy-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enal" ], "molecular_formula": "C30H46O4", "smiles": "C/C(C=O)=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C([C@H](O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0184868", "npaid": "NPA023769" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "FCRKCTMVNYZRSA-NAVGAYGYSA-N": { "inchikey": "FCRKCTMVNYZRSA-NAVGAYGYSA-N", "inchikey2D": "FCRKCTMVNYZRSA", "names": [ "(5s)-5-(2,5-dihydroxyphenyl)-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-5-methoxyfuran-2-one" ], "molecular_formula": "C22H28O5", "smiles": "CO[C@@]1(c2cc(O)ccc2O)C=C(CC/C=C(\\C)CCC=C(C)C)C(=O)O1", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0183322" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "YYGLQGRXCIOCCM-UHFFFAOYSA-N": { "inchikey": "YYGLQGRXCIOCCM-UHFFFAOYSA-N", "inchikey2D": "YYGLQGRXCIOCCM", "names": [ "6-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O7", "smiles": "CC(CC(=O)CC(C)C1=CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0115875" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WWJFQSXVIHXIBB-QWRCDIEMSA-N": { "inchikey": "WWJFQSXVIHXIBB-QWRCDIEMSA-N", "inchikey2D": "WWJFQSXVIHXIBB", "names": [ "(2r,3r,6r)-6-[(1r,3ar,5ar,7r,9as,11ar)-7-[(2-carboxyacetyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dimethyl-4-oxoheptanoic acid" ], "molecular_formula": "C34H52O7", "smiles": "C[C@H](CC(=O)[C@H](C)[C@@H](C)C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0179250" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "GYHFUZHODSMOHU-UHFFFAOYSA-N": { "inchikey": "GYHFUZHODSMOHU-UHFFFAOYSA-N", "inchikey2D": "GYHFUZHODSMOHU", "names": [ "nonanal" ], "molecular_formula": "C9H18O", "smiles": "CCCCCCCCC=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0244398" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BWNCYMXQUKSKSJ-GTRNXXKXSA-N": { "inchikey": "BWNCYMXQUKSKSJ-GTRNXXKXSA-N", "inchikey2D": "BWNCYMXQUKSKSJ", "names": [ "3β,15β-dihydroxy-7,11,23-trioxo-lanost-8,16-dien-26-oic acid methyl ester", "methyl (6r)-6-[(3r,3ar,5ar,7s,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O7", "smiles": "COC(=O)C(C)CC(=O)C[C@@H](C)C1=C[C@@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0255673", "npaid": "NPA019126" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "BJWLOIPUZZBIEJ-UHFFFAOYSA-N": { "inchikey": "BJWLOIPUZZBIEJ-UHFFFAOYSA-N", "inchikey2D": "BJWLOIPUZZBIEJ", "names": [ "1-[6-(hydroxymethyl)-5-oxohept-6-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione" ], "molecular_formula": "C30H44O4", "smiles": "C=C(CO)C(=O)CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0173195" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "LFZXDPZHYHAKCQ-IJDLACCFSA-N": { "inchikey": "LFZXDPZHYHAKCQ-IJDLACCFSA-N", "inchikey2D": "LFZXDPZHYHAKCQ", "names": [ "(2e,6r)-6-[(1r,3s,3ar,5ar,7r,9as,11ar)-3-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-2-enoic acid" ], "molecular_formula": "C32H46O6", "smiles": "CC(=O)O[C@H]1C[C@H]([C@H](C)CC(=O)/C=C(\\C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0118302" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VFCVARJMDQZNKD-QZMBDJNSSA-N": { "inchikey": "VFCVARJMDQZNKD-QZMBDJNSSA-N", "inchikey2D": "VFCVARJMDQZNKD", "names": [ "(2e,6r)-6-[(1r,3s,3ar,5ar,7s,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "15-hydroxy-ganoderic acid S" ], "molecular_formula": "C30H46O4", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0183829", "npaid": "NPA020462" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XRXBNTYHQXKSAO-SXTFGQQDSA-N": { "inchikey": "XRXBNTYHQXKSAO-SXTFGQQDSA-N", "inchikey2D": "XRXBNTYHQXKSAO", "names": [ "(6r)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganolucidic acid A" ], "molecular_formula": "C30H44O6", "smiles": "CC(CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0124981", "npaid": "NPA019043" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MFIBBDYLQUDECT-JJHCDENKSA-N": { "inchikey": "MFIBBDYLQUDECT-JJHCDENKSA-N", "inchikey2D": "MFIBBDYLQUDECT", "names": [ "(6r)-6-[(1r,3ar,4s,5ar,9as,10s,11ar)-4,10-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7-dioxo-1h,2h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganoderic acid df" ], "molecular_formula": "C30H44O7", "smiles": "CC(CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C([C@@H](O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0254679", "npaid": "NPA015721" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RKBAYVATPNYHLW-NFAWXSAZSA-N": { "inchikey": "RKBAYVATPNYHLW-NFAWXSAZSA-N", "inchikey2D": "RKBAYVATPNYHLW", "names": [ "2-[(2r,5s)-5-methyl-5-[(1s)-4-methylcyclohex-3-en-1-yl]oxolan-2-yl]propan-2-ol" ], "molecular_formula": "C15H26O2", "smiles": "CC1=CC[C@@H]([C@]2(C)CC[C@H](C(C)(C)O)O2)CC1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0261601" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BCZACVDBVIYNMZ-XISUYSRGSA-N": { "inchikey": "BCZACVDBVIYNMZ-XISUYSRGSA-N", "inchikey2D": "BCZACVDBVIYNMZ", "names": [ "(2e,5s,6s)-6-[(1r,3s,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O7", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0115031" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YTVGSCZIHGRVAV-IYAQLQCNSA-N": { "inchikey": "YTVGSCZIHGRVAV-IYAQLQCNSA-N", "inchikey2D": "YTVGSCZIHGRVAV", "names": [ "(6r)-6-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganodernic acid D" ], "molecular_formula": "C30H42O7", "smiles": "CC(CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0183382", "npaid": "NPA003286" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BXIBUGHMPIBQEK-GFPVCCEUSA-N": { "inchikey": "BXIBUGHMPIBQEK-GFPVCCEUSA-N", "inchikey2D": "BXIBUGHMPIBQEK", "names": [ "(6r)-6-[(3s,3ar,4s,5ar,6r,7s,9as,11ar)-3,4,7-trihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-10-oxo-3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "3β,7β,15α,28-tetrahydroxy-11,23-dioxo-lanost-8,16-dien-26-oic acid" ], "molecular_formula": "C30H44O8", "smiles": "CC(CC(=O)C[C@@H](C)C1=C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0254494", "npaid": "NPA005753" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "KKOBUWSLPYWAMP-WUKPOZGNSA-N": { "inchikey": "KKOBUWSLPYWAMP-WUKPOZGNSA-N", "inchikey2D": "KKOBUWSLPYWAMP", "names": [ "20-Hydroxylucidenic acid D2", "4-[(1r,3as,5ar,9as,11as)-11a-(acetyloxy)-3a,6,6,9a-tetramethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxypentanoic acid" ], "molecular_formula": "C28H36O9", "smiles": "CC(=O)O[C@]12CC(=O)C3=C(C(=O)C[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]1(C)C(=O)C[C@@H]2C(C)(O)CCC(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0175702", "npaid": "NPA009495" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SHNIIILLSYCBDO-HVTKOPHBSA-N": { "inchikey": "SHNIIILLSYCBDO-HVTKOPHBSA-N", "inchikey2D": "SHNIIILLSYCBDO", "names": [ "(2z,5e)-6,10-dimethyl-2-(2-{2,7,10-trihydroxy-6-oxobenzo[c]chromen-3-yl}ethylidene)undeca-5,9-dienoic acid", "Cochlearoid M" ], "molecular_formula": "C28H30O7", "smiles": "CC(C)=CCC/C(C)=C/CC/C(=C/Cc1cc2oc(=O)c3c(O)ccc(O)c3c2cc1O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0256087", "npaid": "NPA028270" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "CCIDYQNJQGSFBK-FSNROWLBSA-N": { "inchikey": "CCIDYQNJQGSFBK-FSNROWLBSA-N", "inchikey2D": "CCIDYQNJQGSFBK", "names": [ "(-)-(5α,23E)-27-nor-3β-hydroxylanosta-8,23-dien-7,25-dione", "(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2r,4e)-6-oxohept-4-en-2-yl]-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one" ], "molecular_formula": "C29H44O3", "smiles": "CC(=O)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0128507", "npaid": "NPA023762" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "XRBLVCACUHPHDE-NKRIBODASA-N": { "inchikey": "XRBLVCACUHPHDE-NKRIBODASA-N", "inchikey2D": "XRBLVCACUHPHDE", "names": [ "(2e,6r)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganolucidic acid E" ], "molecular_formula": "C30H44O5", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0249584", "npaid": "NPA008696" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ISCJOZQAUKSCCU-UHFFFAOYSA-N": { "inchikey": "ISCJOZQAUKSCCU-UHFFFAOYSA-N", "inchikey2D": "ISCJOZQAUKSCCU", "names": [ "methyl 6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-decahydrocyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O7", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC(O)C2(C)C3C(=O)CC4C(C)(C)C(=O)CCC4(C)C3C(=O)CC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0118148" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HVLZHPCKWVKAQH-UHFFFAOYSA-N": { "inchikey": "HVLZHPCKWVKAQH-UHFFFAOYSA-N", "inchikey2D": "HVLZHPCKWVKAQH", "names": [ "2-[2-(2,5-dihydroxyphenyl)ethylidene]-6,10-dimethylundeca-5,9-dienoic acid" ], "molecular_formula": "C21H28O4", "smiles": "CC(C)=CCCC(C)=CCCC(=CCc1cc(O)ccc1O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0177509" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "GZVVHHXNPRBBSD-PJODQICGSA-N": { "inchikey": "GZVVHHXNPRBBSD-PJODQICGSA-N", "inchikey2D": "GZVVHHXNPRBBSD", "names": [ "(-)-applanatumol K", "(1s,2s,4s)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2,4-dihydroxy-3-methylidenecyclohexane-1-carboxylic acid" ], "molecular_formula": "C16H18O7", "smiles": "C=C1[C@@H](O)CC[C@@](CC(=O)c2cc(O)ccc2O)(C(=O)O)[C@H]1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0120455", "npaid": "NPA000239" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "XRNFKNZQPAWPQL-YFFZAEHLSA-N": { "inchikey": "XRNFKNZQPAWPQL-YFFZAEHLSA-N", "inchikey2D": "XRNFKNZQPAWPQL", "names": [ "(1r,3ar,5ar,7s,9as,11ar)-1-[(2r,5s)-5,6-dihydroxy-6-methylheptan-2-yl]-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one" ], "molecular_formula": "C30H50O4", "smiles": "C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0186062" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UBGHTOOEMRLEGM-MJLYOBLKSA-N": { "inchikey": "UBGHTOOEMRLEGM-MJLYOBLKSA-N", "inchikey2D": "UBGHTOOEMRLEGM", "names": [ "(22S,24E)-3β,22-diacetoxy-7α-methoxylanosta-8,24-dien-26-oic acid", "(2e,5s,6s)-6-[(1r,3ar,4r,5ar,7s,9as,11ar)-7-(acetyloxy)-4-methoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C35H54O7", "smiles": "CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)[C@H](C/C=C(\\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0264669", "npaid": "NPA021823" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GLUXWRYPXYKXKV-KYNPWPKBSA-N": { "inchikey": "GLUXWRYPXYKXKV-KYNPWPKBSA-N", "inchikey2D": "GLUXWRYPXYKXKV", "names": [ "(4r)-4-[(3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid", "Lucidenic acid F" ], "molecular_formula": "C27H36O6", "smiles": "C[C@H](CCC(=O)O)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0225145", "npaid": "NPA029052" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BVQKWBKBNWFWQI-UHFFFAOYSA-N": { "inchikey": "BVQKWBKBNWFWQI-UHFFFAOYSA-N", "inchikey2D": "BVQKWBKBNWFWQI", "names": [ "6-[11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H46O8", "smiles": "CC(=O)OC1C(=O)C2=C(C(O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CCC=C(C)C(=O)O)C12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0246443" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "RNXUXOBDUSSLDU-UXBLZVDNSA-N": { "inchikey": "RNXUXOBDUSSLDU-UXBLZVDNSA-N", "inchikey2D": "RNXUXOBDUSSLDU", "names": [ "Petchiate B", "ethyl (2z)-3-[5-(hydroxymethyl)furan-2-yl]-4-oxopent-2-enoate" ], "molecular_formula": "C12H14O5", "smiles": "CCOC(=O)/C=C(\\C(C)=O)c1ccc(CO)o1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0090333", "npaid": "NPA008077" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "ZEBQFRRQMRKCDY-UHFFFAOYSA-N": { "inchikey": "ZEBQFRRQMRKCDY-UHFFFAOYSA-N", "inchikey2D": "ZEBQFRRQMRKCDY", "names": [ "methyl 4-{9,17-dihydroxy-2,6,6,11,15-pentamethyl-5,12-dioxopentacyclo[8.7.0.0²,⁷.0³,¹⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}pentanoate" ], "molecular_formula": "C28H40O6", "smiles": "COC(=O)CCC(C)C1CC(=O)C2(C)C3=C4C(O)(CC12C)C1CC(=O)C(C)(C)C(CC3O)C41C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0263593" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "FOKGULQDAMDMHZ-MDOZXWPMSA-N": { "inchikey": "FOKGULQDAMDMHZ-MDOZXWPMSA-N", "inchikey2D": "FOKGULQDAMDMHZ", "names": [ "(2s,5e)-6-[(1r,3r,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid", "Gibbosic acid M" ], "molecular_formula": "C30H40O6", "smiles": "C/C(=C\\C(=O)C[C@H](C)C(=O)O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C=C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0116831", "npaid": "NPA025427" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "HRCXCJZSYKDYGV-UHFFFAOYSA-N": { "inchikey": "HRCXCJZSYKDYGV-UHFFFAOYSA-N", "inchikey2D": "HRCXCJZSYKDYGV", "names": [ "methyl 6-{3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O7", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0118332" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DXEHRWQCQGZTQA-OJXPTXSFSA-N": { "inchikey": "DXEHRWQCQGZTQA-OJXPTXSFSA-N", "inchikey2D": "DXEHRWQCQGZTQA", "names": [ "methyl (2r,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-6,6,9a,11a-tetramethyl-10-oxo-1h,2h,3h,3ah,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C30H46O7", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0249798" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NNWFNIAYBDEVTF-UHFFFAOYSA-N": { "inchikey": "NNWFNIAYBDEVTF-UHFFFAOYSA-N", "inchikey2D": "NNWFNIAYBDEVTF", "names": [ "methyl 2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(3-hydroxyprop-1-en-2-yl)oxolane-2-carboxylate" ], "molecular_formula": "C17H20O7", "smiles": "C=C(CO)C1CCC(CC(=O)c2cc(O)ccc2O)(C(=O)OC)O1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0214629" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "BXYMDRLMMWHQPT-UHTZFNSYSA-N": { "inchikey": "BXYMDRLMMWHQPT-UHTZFNSYSA-N", "inchikey2D": "BXYMDRLMMWHQPT", "names": [ "(1r,2r,3ar,5ar,9as,11ar)-2-hydroxy-1-[(2r)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one", "16α,26-dihydroxylanosta-8,24-dien-3-one" ], "molecular_formula": "C30H48O3", "smiles": "CC(=CCC[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0265696", "npaid": "NPA006226" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "VOPDCPFNKBMDFA-GGBGHHBQSA-N": { "inchikey": "VOPDCPFNKBMDFA-GGBGHHBQSA-N", "inchikey2D": "VOPDCPFNKBMDFA", "names": [ "(5e)-6-[(1r,3ar,5ar,9as,11s,11ar)-11-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid", "12β-hydroxyganoderenic acid F" ], "molecular_formula": "C30H38O8", "smiles": "C/C(=C\\C(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0083559", "npaid": "NPA016917" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PCOWDCXEKLHAGL-FZYBZMNXSA-N": { "inchikey": "PCOWDCXEKLHAGL-FZYBZMNXSA-N", "inchikey2D": "PCOWDCXEKLHAGL", "names": [ "ethyl (2r,6r)-6-[(1r,3ar,4s,5ar,7s,9as,11ar)-7-(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C34H50O8", "smiles": "CCOC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0264408" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WCVRZUHPBSKVLX-ZFWWWQNUSA-N": { "inchikey": "WCVRZUHPBSKVLX-ZFWWWQNUSA-N", "inchikey2D": "WCVRZUHPBSKVLX", "names": [ "(7s,8s)-8-hydroxy-7-(hydroxymethyl)-5,7-dimethyl-3h,4h,6h,8h-indeno[5,6-c]pyran-1-one", "Applanatine E" ], "molecular_formula": "C15H18O4", "smiles": "Cc1c2c(cc3c1C[C@@](C)(CO)[C@H]3O)C(=O)OCC2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0214708", "npaid": "NPA012695" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "QVALJVWVGGEFKU-UHFFFAOYSA-N": { "inchikey": "QVALJVWVGGEFKU-UHFFFAOYSA-N", "inchikey2D": "QVALJVWVGGEFKU", "names": [ "6-[11-(acetyloxy)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H46O9", "smiles": "CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(O)CC(C(C)CC(=O)CC(C)C(=O)O)C12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0079721" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KPKCLDNQTAXYMW-XTDFTDELSA-N": { "inchikey": "KPKCLDNQTAXYMW-XTDFTDELSA-N", "inchikey2D": "KPKCLDNQTAXYMW", "names": [ "(1r,3ar,7s,9as,10r,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-7,10-dihydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one", "(22E,24R)-ergosta-5,8,22-trien-3β,11α-dihydroxyl-7-one" ], "molecular_formula": "C28H42O3", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C([C@H](O)C[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0213967", "npaid": "NPA025983" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "RDGKBODNFUOHRR-QUILQFKSSA-N": { "inchikey": "RDGKBODNFUOHRR-QUILQFKSSA-N", "inchikey2D": "RDGKBODNFUOHRR", "names": [ "(6r)-6-[(1r,3s,3ar,4s,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid", "Ganolucidic acid γa" ], "molecular_formula": "C30H46O7", "smiles": "CC(=CC(O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0213761", "npaid": "NPA011162" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "BDWGQDKFPHYOII-XIFZEACXSA-N": { "inchikey": "BDWGQDKFPHYOII-XIFZEACXSA-N", "inchikey2D": "BDWGQDKFPHYOII", "names": [ "(1r,3ar,7s,9as,9bs,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-3a,7,9b-trihydroxy-9a,11a-dimethyl-1h,2h,3h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-5-one", "(22E,24R)-ergosta-4,7,22-trien-3β,9α,14β-trihydroxyl-6-one" ], "molecular_formula": "C28H42O4", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@]2(O)C3=CC(=O)C4=C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0068970", "npaid": "NPA025984" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "WKBBTEUDELYQMD-LHHJGKSTSA-N": { "inchikey": "WKBBTEUDELYQMD-LHHJGKSTSA-N", "inchikey2D": "WKBBTEUDELYQMD", "names": [ "5-(2,5-dihydroxyphenyl)-3-[(3e)-9-hydroxy-8-(hydroxymethyl)-4-methylnona-3,7-dien-1-yl]oxolan-2-one", "Ganocapenoid A" ], "molecular_formula": "C21H28O6", "smiles": "C/C(=C\\CCC1CC(c2cc(O)ccc2O)OC1=O)CCC=C(CO)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0058595", "npaid": "NPA026082" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "XBXXQDQGWHKRIM-OVCLIPMQSA-N": { "inchikey": "XBXXQDQGWHKRIM-OVCLIPMQSA-N", "inchikey2D": "XBXXQDQGWHKRIM", "names": [ "(±)-cochlearol R", "9-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-8,11-dioxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-triene-4,12-diol" ], "molecular_formula": "C21H28O4", "smiles": "CC(C)=CCC/C(C)=C/CCC12COC(c3cc(O)ccc3O1)C2O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0224055", "npaid": "NPA025932" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "VNZZSZLDWOZUTF-UHFFFAOYSA-N": { "inchikey": "VNZZSZLDWOZUTF-UHFFFAOYSA-N", "inchikey2D": "VNZZSZLDWOZUTF", "names": [ "1-(6-methoxy-3,6-dimethylhept-4-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C32H52O2", "smiles": "COC(C)(C)C=CC(C)C(C)C1CCC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0046797" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "VMYXUZSZMNBRCN-CQSZACIVSA-N": { "inchikey": "VMYXUZSZMNBRCN-CQSZACIVSA-N", "inchikey2D": "VMYXUZSZMNBRCN", "names": [ "(-)-α-curcumene" ], "molecular_formula": "C15H22", "smiles": "CC(C)=CCC[C@@H](C)c1ccc(C)cc1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0216936" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YFLSTROSSKYYNK-GJZGRUSLSA-N": { "inchikey": "YFLSTROSSKYYNK-GJZGRUSLSA-N", "inchikey2D": "YFLSTROSSKYYNK", "names": [ "bazzanene" ], "molecular_formula": "C15H24", "smiles": "C=C1CCC[C@]1(C)[C@@]1(C)CC=C(C)CC1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0080333" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PEGUBVVGNSOOBD-IZOKWNAMSA-N": { "inchikey": "PEGUBVVGNSOOBD-IZOKWNAMSA-N", "inchikey2D": "PEGUBVVGNSOOBD", "names": [ "(5z)-6-[(1r,3r,3ar,9as,11r,11ar)-3,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O8", "smiles": "C/C(=C/C(=O)CC(C)C(=O)O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0218897" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "ZTKZZRIVAYGFSF-PIPDTRPPSA-N": { "inchikey": "ZTKZZRIVAYGFSF-PIPDTRPPSA-N", "inchikey2D": "ZTKZZRIVAYGFSF", "names": [ "(2e,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoderic acid DM" ], "molecular_formula": "C30H44O4", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0064151", "npaid": "NPA009322" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "IFIDRYXKWRSXFG-UHFFFAOYSA-N": { "inchikey": "IFIDRYXKWRSXFG-UHFFFAOYSA-N", "inchikey2D": "IFIDRYXKWRSXFG", "names": [ "6-[11-(acetyloxy)-4-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H46O8", "smiles": "CC(=O)OC1C(=O)C2=C(C(O)CC3C(C)(CO)C(=O)CCC23C)C2(C)CCC(C(C)CCC=C(C)C(=O)O)C12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0255170" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "NJFJGIWHAUNTHB-SUNOWWPJSA-N": { "inchikey": "NJFJGIWHAUNTHB-SUNOWWPJSA-N", "inchikey2D": "NJFJGIWHAUNTHB", "names": [ "(2s,6r)-6-[(1r,3r,3ar,5ar,6r,9as,11ar)-3-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganohainanic acid D" ], "molecular_formula": "C30H44O7", "smiles": "C[C@@H](CC(=O)C[C@@H](C)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0220172", "npaid": "NPA010451" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "FSQOJHFOSBREDZ-JNGPXBFJSA-N": { "inchikey": "FSQOJHFOSBREDZ-JNGPXBFJSA-N", "inchikey2D": "FSQOJHFOSBREDZ", "names": [ "(1s,3r,3as,3bs,5ar,9as,11ar)-1-acetyl-3,3b-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h-cyclopenta[a]phenanthrene-4,7,11-trione", "Applanone B" ], "molecular_formula": "C24H32O6", "smiles": "CC(=O)[C@H]1C[C@@H](O)[C@@]2(C)[C@]3(O)C(=O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC(=O)[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0043384", "npaid": "NPA025891" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "SNZQBBATMLGADX-QGPJMSCKSA-N": { "inchikey": "SNZQBBATMLGADX-QGPJMSCKSA-N", "inchikey2D": "SNZQBBATMLGADX", "names": [ "(6r)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoderic acid TR" ], "molecular_formula": "C30H44O4", "smiles": "CC(=CCC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0269308", "npaid": "NPA004691" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LHNXBUCEMMCNGA-HEDIQWIISA-N": { "inchikey": "LHNXBUCEMMCNGA-HEDIQWIISA-N", "inchikey2D": "LHNXBUCEMMCNGA", "names": [ "methyl (2r,5e)-6-[(1r,3ar,4s,5ar,9as,11s,11ar)-4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoate" ], "molecular_formula": "C31H42O8", "smiles": "COC(=O)[C@H](C)CC(=O)/C=C(\\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0046824" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZCMJUAGNOJTZBJ-LASPUHGRSA-N": { "inchikey": "ZCMJUAGNOJTZBJ-LASPUHGRSA-N", "inchikey2D": "ZCMJUAGNOJTZBJ", "names": [ "(2r)-2-[(1r,2r,3ar,5ar,7s,9as,11ar)-7-(acetyloxy)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylhept-6-enoic acid" ], "molecular_formula": "C33H52O5", "smiles": "C=C(C)C(C)CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0268619" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "QHLHTTNIUVMWRY-UHFFFAOYSA-N": { "inchikey": "QHLHTTNIUVMWRY-UHFFFAOYSA-N", "inchikey2D": "QHLHTTNIUVMWRY", "names": [ "6-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H48O4", "smiles": "CC(=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0061632" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UBUDHORULOYWEA-ONOSFVFSSA-N": { "inchikey": "UBUDHORULOYWEA-ONOSFVFSSA-N", "inchikey2D": "UBUDHORULOYWEA", "names": [ "(-)-applanatumol X", "(3r,6r,7s)-11-hydroxy-8-oxo-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-6-carboxylic acid" ], "molecular_formula": "C13H12O5", "smiles": "O=C1c2cc(O)ccc2O[C@@H]2CC[C@@H](C(=O)O)[C@H]12", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0257148", "npaid": "NPA009800" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "IFYDZTDBJZWEPK-RUZDIDTESA-N": { "inchikey": "IFYDZTDBJZWEPK-RUZDIDTESA-N", "inchikey2D": "IFYDZTDBJZWEPK", "names": [ "(r)-2-hydroxycerotic acid" ], "molecular_formula": "C26H52O3", "smiles": "CCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0193222" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "ALBCWJCDEWHIEL-UHFFFAOYSA-N": { "inchikey": "ALBCWJCDEWHIEL-UHFFFAOYSA-N", "inchikey2D": "ALBCWJCDEWHIEL", "names": [ "7,12',14-trihydroxy-5'-methoxy-3,4',8',10-tetraoxaspiro[tetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-2,3'-tricyclo[4.3.3.0¹,⁶]dodecane]-1(14),4,6,8(16),11(15),12-hexaene-9,9'-dione" ], "molecular_formula": "C24H20O10", "smiles": "COC1OC2(CC34CCC(O)C13COC4=O)Oc1ccc(O)c3c(=O)oc4ccc(O)c2c4c13", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0201673" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "BJWLOIPUZZBIEJ-OFCZHXPESA-N": { "inchikey": "BJWLOIPUZZBIEJ-OFCZHXPESA-N", "inchikey2D": "BJWLOIPUZZBIEJ", "names": [ "(1r,3ar,5ar,9as,11ar)-1-[(2r)-6-(hydroxymethyl)-5-oxohept-6-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione", "27-hydroxylanosta-8,25-diene-3,7,24-trione" ], "molecular_formula": "C30H44O4", "smiles": "C=C(CO)C(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0193096", "npaid": "NPA012081" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "DMGHVFKVXXJZON-GAOAPRCBSA-N": { "inchikey": "DMGHVFKVXXJZON-GAOAPRCBSA-N", "inchikey2D": "DMGHVFKVXXJZON", "names": [ "methyl (2r,6r)-6-[(1r,3ar,4s,5ar,9as,11s,11ar)-4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O8", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0244278" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NXZJPJLQVAKBTH-UHFFFAOYSA-N": { "inchikey": "NXZJPJLQVAKBTH-UHFFFAOYSA-N", "inchikey2D": "NXZJPJLQVAKBTH", "names": [ "6-[7-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H48O5", "smiles": "CC(=O)OC1CCC2(C)C3=CCC4(C)C(C(C)CCC=C(C)C(=O)O)CC(O)C4(C)C3=CCC2C1(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0261597" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KMPQYAYAQWNLME-UHFFFAOYSA-N": { "inchikey": "KMPQYAYAQWNLME-UHFFFAOYSA-N", "inchikey2D": "KMPQYAYAQWNLME", "names": [ "aldehyde c11" ], "molecular_formula": "C11H22O", "smiles": "CCCCCCCCCCC=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0045537" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "TVLLLIMEZXBDHC-UHFFFAOYSA-N": { "inchikey": "TVLLLIMEZXBDHC-UHFFFAOYSA-N", "inchikey2D": "TVLLLIMEZXBDHC", "names": [ "7-hydroxy-3a,6,6,9a,11a-pentamethyl-1-(5,6,7-trihydroxy-6-methylheptan-2-yl)-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one" ], "molecular_formula": "C30H50O5", "smiles": "CC(CCC(O)C(C)(O)CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0270270" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZEBQFRRQMRKCDY-PNANWIQHSA-N": { "inchikey": "ZEBQFRRQMRKCDY-PNANWIQHSA-N", "inchikey2D": "ZEBQFRRQMRKCDY", "names": [ "methyl (4r)-4-[(2r,3s,7r,9s,11r,14r,15r,17r)-9,17-dihydroxy-2,6,6,11,15-pentamethyl-5,12-dioxopentacyclo[8.7.0.0²,⁷.0³,¹⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]pentanoate", "methyl ganosinensate A" ], "molecular_formula": "C28H40O6", "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C4[C@@](O)(C[C@]12C)[C@H]1CC(=O)C(C)(C)[C@H](C[C@@H]3O)[C@@]41C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0074084", "npaid": "NPA010126" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "DHVGHNKIHZKJJA-YHRRMHMWSA-N": { "inchikey": "DHVGHNKIHZKJJA-YHRRMHMWSA-N", "inchikey2D": "DHVGHNKIHZKJJA", "names": [ "(6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-2-methyl-4-oxoheptanoic acid", "3β,7β,15α,24-tetrahydroxy-11,23-dioxolanost-8-en-26-oic acid" ], "molecular_formula": "C30H46O8", "smiles": "CC(C(=O)O)C(O)C(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0077858", "npaid": "NPA014156" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "SXPHWVWHKNUWLH-GGZOMVNGSA-N": { "inchikey": "SXPHWVWHKNUWLH-GGZOMVNGSA-N", "inchikey2D": "SXPHWVWHKNUWLH", "names": [ "(+)-applanatumol Z", "methyl (1r,2r,3r)-2-(2,5-dihydroxybenzoyl)-3-hydroxycyclopentane-1-carboxylate" ], "molecular_formula": "C14H16O6", "smiles": "COC(=O)[C@@H]1CC[C@@H](O)[C@@H]1C(=O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0070048", "npaid": "NPA003880" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "OEHYQHPDUCRLMW-UHFFFAOYSA-N": { "inchikey": "OEHYQHPDUCRLMW-UHFFFAOYSA-N", "inchikey2D": "OEHYQHPDUCRLMW", "names": [ "6-[11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H46O9", "smiles": "CC(=O)OC1C(=O)C2=C(C(O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CC(=O)CC(C)C(=O)O)C12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0247005" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BNIRNFGPJVLFAH-UHFFFAOYSA-N": { "inchikey": "BNIRNFGPJVLFAH-UHFFFAOYSA-N", "inchikey2D": "BNIRNFGPJVLFAH", "names": [ "butyl 4-{3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoate" ], "molecular_formula": "C31H48O6", "smiles": "CCCCOC(=O)CCC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0273201" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UCVMOQJIKVEFTE-ILOYXCQESA-N": { "inchikey": "UCVMOQJIKVEFTE-ILOYXCQESA-N", "inchikey2D": "UCVMOQJIKVEFTE", "names": [ "(6r)-6-[(1r,3ar,5ar,7s,9as,11s,11ar)-7-(acetyloxy)-11-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganodernoid G" ], "molecular_formula": "C32H44O9", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1(C)C)[C@]1(C)C(=O)C[C@H]([C@H](C)CC(=O)CC(C)C(=O)O)[C@@]1(C)[C@H](O)C3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0205707", "npaid": "NPA016560" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LCIUOVOXWPIXOR-OFNACUEDSA-N": { "inchikey": "LCIUOVOXWPIXOR-OFNACUEDSA-N", "inchikey2D": "LCIUOVOXWPIXOR", "names": [ "(2r,6r)-6-[(1s,3as,4s,5as,9as,11r,11ar)-4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O8", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@@H]1CC(=O)[C@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0273887" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XMYLZWSISVUIGW-PYGZSJEDSA-N": { "inchikey": "XMYLZWSISVUIGW-PYGZSJEDSA-N", "inchikey2D": "XMYLZWSISVUIGW", "names": [ "Gibbosicolid G", "methyl 3-[(1r,2s,3s,5r,6r,10s,11s,13r)-3-hydroxy-2,6,10-trimethyl-5-{1-[(2r,4s)-4-methyl-5-oxooxolan-2-yl]prop-1-en-2-yl}-7-oxo-11-(prop-1-en-2-yl)-14-oxatetracyclo[7.5.0.0¹,¹³.0²,⁶]tetradec-8-en-10-yl]propanoate" ], "molecular_formula": "C31H42O7", "smiles": "C=C(C)[C@@H]1C[C@H]2O[C@@]23C(=CC(=O)[C@]2(C)[C@@H](C(C)=C[C@H]4C[C@H](C)C(=O)O4)C[C@H](O)[C@]23C)[C@@]1(C)CCC(=O)OC", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0267104", "npaid": "NPA025436" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "NNWFNIAYBDEVTF-RDJZCZTQSA-N": { "inchikey": "NNWFNIAYBDEVTF-RDJZCZTQSA-N", "inchikey2D": "NNWFNIAYBDEVTF", "names": [ "(+)-applanatumol P", "methyl (2s,5s)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(3-hydroxyprop-1-en-2-yl)oxolane-2-carboxylate" ], "molecular_formula": "C17H20O7", "smiles": "C=C(CO)[C@@H]1CC[C@](CC(=O)c2cc(O)ccc2O)(C(=O)OC)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0266103", "npaid": "NPA012188" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "VKMZACSYECLFAU-HNBNAWJQSA-N": { "inchikey": "VKMZACSYECLFAU-HNBNAWJQSA-N", "inchikey2D": "VKMZACSYECLFAU", "names": [ "(2r)-2-[(1r,3ar,5ar,7r,9as,11ar)-7-[(3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid", "3a-(3-hydroxy-5-methoxy-3-methyl-1,5-dioxopentyloxy)-24-methylene-5a-lanost-8-en-21-oic acid" ], "molecular_formula": "C38H60O7", "smiles": "C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(C)(O)CC(=O)OC)C(C)(C)[C@@H]1CC3)C(C)C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0208995", "npaid": "NPA013196" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "FELIGGHUKPABHF-PAUWJORXSA-N": { "inchikey": "FELIGGHUKPABHF-PAUWJORXSA-N", "inchikey2D": "FELIGGHUKPABHF", "names": [ "(2e)-6-[(1s,3ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methylhept-2-enoic acid", "Ganoderic acid-V1" ], "molecular_formula": "C30H42O7", "smiles": "C/C(=C\\CCC(C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0196213", "npaid": "NPA001182" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KSJXBRQBEVKVDR-UHFFFAOYSA-N": { "inchikey": "KSJXBRQBEVKVDR-UHFFFAOYSA-N", "inchikey2D": "KSJXBRQBEVKVDR", "names": [ "methyl 3-hydroxy-6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O8", "smiles": "COC(=O)C(C)C(O)C(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0179709" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "GFKYVWHGNWCEQF-WHAQNMQVSA-N": { "inchikey": "GFKYVWHGNWCEQF-WHAQNMQVSA-N", "inchikey2D": "GFKYVWHGNWCEQF", "names": [ "(2s,5e)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O7", "smiles": "C/C(=C\\C(=O)C[C@H](C)C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0275695" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "OVLBITNHMRRIBT-REZAYFONSA-N": { "inchikey": "OVLBITNHMRRIBT-REZAYFONSA-N", "inchikey2D": "OVLBITNHMRRIBT", "names": [ "(2r,4s,6r)-6-[(1r,3s,3ar,4s,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylheptanoic acid" ], "molecular_formula": "C30H46O7", "smiles": "C[C@H](C[C@@H](O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0191233" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SQCUZGZMTBZFAU-QIBDZGQISA-N": { "inchikey": "SQCUZGZMTBZFAU-QIBDZGQISA-N", "inchikey2D": "SQCUZGZMTBZFAU", "names": [ "(1s,2r,5s,7s,12r,15r,16r)-15-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-5,7-dihydroxy-2,16-dimethyl-8-oxatetracyclo[9.7.0.0²,⁷.0¹²,¹⁶]octadec-10-en-9-one", "(22E,24R)-ergosta-7,22-dien-3β,5α-diol-6,5-olide" ], "molecular_formula": "C28H44O4", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)O[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0037197", "npaid": "NPA025979" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "YGIXGYUHDZWEHD-LEXYNSNMSA-N": { "inchikey": "YGIXGYUHDZWEHD-LEXYNSNMSA-N", "inchikey2D": "YGIXGYUHDZWEHD", "names": [ "(2e,5s,6r)-6-[(1r,3s,3ar,4r,5ar,7r,9as,11ar)-7-(acetyloxy)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H52O8", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0058985" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CSKGXFUFBCYWJL-UHFFFAOYSA-N": { "inchikey": "CSKGXFUFBCYWJL-UHFFFAOYSA-N", "inchikey2D": "CSKGXFUFBCYWJL", "names": [ "3-{3-hydroxy-2,6,10-trimethyl-5-[1-(4-methyl-5-oxooxolan-2-yl)prop-1-en-2-yl]-7-oxo-11-(prop-1-en-2-yl)-14-oxatetracyclo[7.5.0.0¹,¹³.0²,⁶]tetradec-8-en-10-yl}propanoic acid" ], "molecular_formula": "C30H40O7", "smiles": "C=C(C)C1CC2OC23C(=CC(=O)C2(C)C(C(C)=CC4CC(C)C(=O)O4)CC(O)C23C)C1(C)CCC(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0077300" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "ZXYSCJISDAKHPX-UHFFFAOYSA-N": { "inchikey": "ZXYSCJISDAKHPX-UHFFFAOYSA-N", "inchikey2D": "ZXYSCJISDAKHPX", "names": [ "methyl 4-{3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoate" ], "molecular_formula": "C28H38O6", "smiles": "COC(=O)CCC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0208095" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RLJNNMVBYZTJLR-YJBOKZPZSA-N": { "inchikey": "RLJNNMVBYZTJLR-YJBOKZPZSA-N", "inchikey2D": "RLJNNMVBYZTJLR", "names": [ "(11s,16s)-2,13,13,16-tetramethyl-6,12,14-trioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),2,8-trien-7-one", "Applanatine D" ], "molecular_formula": "C18H22O4", "smiles": "Cc1c2c(cc3c1C[C@@]1(C)COC(C)(C)O[C@@H]31)C(=O)OCC2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0065542", "npaid": "NPA009702" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "RRZCIJOEXYRBDW-XYTNWHGLSA-N": { "inchikey": "RRZCIJOEXYRBDW-XYTNWHGLSA-N", "inchikey2D": "RRZCIJOEXYRBDW", "names": [ "(5e)-6-[(1r,3ar,4s,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-2-methyl-4-oxohept-5-enoic acid", "Resinacein M" ], "molecular_formula": "C30H42O8", "smiles": "C/C(=C\\C(=O)C(O)C(C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0203954", "npaid": "NPA023687" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "BWNCYMXQUKSKSJ-UHFFFAOYSA-N": { "inchikey": "BWNCYMXQUKSKSJ-UHFFFAOYSA-N", "inchikey2D": "BWNCYMXQUKSKSJ", "names": [ "methyl 6-{3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O7", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1=CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0194744" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "QIDJKJCRXFDRJP-PMFRWTETSA-N": { "inchikey": "QIDJKJCRXFDRJP-PMFRWTETSA-N", "inchikey2D": "QIDJKJCRXFDRJP", "names": [ "methyl (2r,6s)-6-[(1s,3s,3ar,5ar,9as,11s,11ar)-3,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O9", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@](C)(O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0259500" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "ZJMBUNAZIDNVOV-UHFFFAOYSA-N": { "inchikey": "ZJMBUNAZIDNVOV-UHFFFAOYSA-N", "inchikey2D": "ZJMBUNAZIDNVOV", "names": [ "6-[6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h-cyclopenta[a]naphthalen-3-yl]-2-methyl-3-methylidene-4-oxoheptanoic acid" ], "molecular_formula": "C31H44O5", "smiles": "C=C(C(=O)CC(C)C1CCC2(C)C3=CCC(C(=C)C)C(C)(CCC(=O)O)C3=CCC12C)C(C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0194038" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HKDHXZLREQAIPY-UHFFFAOYSA-N": { "inchikey": "HKDHXZLREQAIPY-UHFFFAOYSA-N", "inchikey2D": "HKDHXZLREQAIPY", "names": [ "Applanatine C", "[3-methoxy-6-(2-methoxyethyl)-2,2,7-trimethyl-1,3-dihydroinden-5-yl]methanol" ], "molecular_formula": "C17H26O3", "smiles": "COCCc1c(CO)cc2c(c1C)CC(C)(C)C2OC", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0072669", "npaid": "NPA017552" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "XTKNDUKCUUVUEV-KNBDTWKSSA-N": { "inchikey": "XTKNDUKCUUVUEV-KNBDTWKSSA-N", "inchikey2D": "XTKNDUKCUUVUEV", "names": [ "(2r,3s,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-1,2-dihydroxy-2-methylheptan-3-yl (2e,5e)-2-[2-(2,5-dihydroxyphenyl)ethylidene]-6,10-dimethylundeca-5,9-dienoate", "Ganoleuconin O" ], "molecular_formula": "C51H74O7", "smiles": "CC(C)=CCC/C(C)=C/CC/C(=C\\Cc1cc(O)ccc1O)C(=O)O[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)[C@](C)(O)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0273597", "npaid": "NPA000467" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "SHEXVLKGCVJHHF-PZRVIACFSA-N": { "inchikey": "SHEXVLKGCVJHHF-PZRVIACFSA-N", "inchikey2D": "SHEXVLKGCVJHHF", "names": [ "(1r,3as,5ar,7r,9ar,9br,11ar)-3a,7-dihydroxy-1-[(2r,5s)-6-hydroxy-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one", "Ganocalidophin A" ], "molecular_formula": "C28H46O4", "smiles": "C[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0072735", "npaid": "NPA026058" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "JBMVFHJFFZPAJI-MKZAYZJSSA-N": { "inchikey": "JBMVFHJFFZPAJI-MKZAYZJSSA-N", "inchikey2D": "JBMVFHJFFZPAJI", "names": [ "(2e,6r)-6-[(1r,3s,3ar,4r,5ar,7r,9as,11ar)-4,7-bis(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H52O7", "smiles": "CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](O)C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0268661" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XRXBNTYHQXKSAO-UHFFFAOYSA-N": { "inchikey": "XRXBNTYHQXKSAO-UHFFFAOYSA-N", "inchikey2D": "XRXBNTYHQXKSAO", "names": [ "6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O6", "smiles": "CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0262341" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DUJIUQBMKLTHHE-LHHJGKSTSA-N": { "inchikey": "DUJIUQBMKLTHHE-LHHJGKSTSA-N", "inchikey2D": "DUJIUQBMKLTHHE", "names": [ "(±)-dayaolingzhiol C", "5-(2,5-dihydroxyphenyl)-3-[(3e)-4,8-dimethyl-7-oxonona-3,8-dien-1-yl]-5h-furan-2-one" ], "molecular_formula": "C21H24O5", "smiles": "C=C(C)C(=O)CC/C(C)=C/CCC1=CC(c2cc(O)ccc2O)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0236218", "npaid": "NPA025731" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NXZJPJLQVAKBTH-HSZSGIPCSA-N": { "inchikey": "NXZJPJLQVAKBTH-HSZSGIPCSA-N", "inchikey2D": "NXZJPJLQVAKBTH", "names": [ "(2e,6s)-6-[(1r,3s,3ar,5ar,7s,9as,11ar)-7-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H48O5", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@@H](C)CC/C=C(\\C)C(=O)O)C[C@H](O)[C@@]4(C)C3=CC[C@H]2C1(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0261853" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JLQNHALFVCURHW-UHFFFAOYSA-N": { "inchikey": "JLQNHALFVCURHW-UHFFFAOYSA-N", "inchikey2D": "JLQNHALFVCURHW", "names": [ "sulfur" ], "molecular_formula": "S8", "smiles": "S1SSSSSSS1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0270846" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VJIIJXSVQOCMDZ-UHFFFAOYSA-N": { "inchikey": "VJIIJXSVQOCMDZ-UHFFFAOYSA-N", "inchikey2D": "VJIIJXSVQOCMDZ", "names": [ "4-[7-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H38O7", "smiles": "CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0062699" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XZLYASGIHCSKRD-IUZSNSRCSA-N": { "inchikey": "XZLYASGIHCSKRD-IUZSNSRCSA-N", "inchikey2D": "XZLYASGIHCSKRD", "names": [ "(+)-spirocochlealactone A", "(3s,4r)-3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3,4'-bis[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-6-hydroxyspiro[1-benzopyran-4,2'-furan]-2,5'-dione" ], "molecular_formula": "C42H50O8", "smiles": "CC(C)=CCC/C(C)=C/CCC1=C[C@@]2(OC1=O)c1cc(O)ccc1OC(=O)[C@@]2(CC/C=C(\\C)CCC=C(C)C)CC(=O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0270542", "npaid": "NPA028195" }, "toxicity_filter_pass": 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lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0194004", "npaid": "NPA001586" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XZKWKMSUTLJOMB-YSROOBRHSA-N": { "inchikey": "XZKWKMSUTLJOMB-YSROOBRHSA-N", "inchikey2D": "XZKWKMSUTLJOMB", "names": [ "(4s)-4-[(1s,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxypentanoic acid" ], "molecular_formula": "C27H38O7", "smiles": "CC1(C)C(=O)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)C(=O)C[C@H]([C@@](C)(O)CCC(=O)O)[C@@]1(C)CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0103416" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "YPYHGMCHNBTMDB-GOGDEKJESA-N": { "inchikey": "YPYHGMCHNBTMDB-GOGDEKJESA-N", "inchikey2D": "YPYHGMCHNBTMDB", "names": [ "Ganolucidenic acid B", "ganolucidic acid b" ], "molecular_formula": "C30H46O6", "smiles": "CC(CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0272147", "npaid": "NPA029053" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HRCXCJZSYKDYGV-HGDUBBKOSA-N": { "inchikey": "HRCXCJZSYKDYGV-HGDUBBKOSA-N", "inchikey2D": "HRCXCJZSYKDYGV", "names": [ "methyl (2r,6r)-6-[(1r,3s,3ar,5ar,7s,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O7", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0275529" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MIWGXXQCEDNROQ-LFIBNONCSA-N": { "inchikey": "MIWGXXQCEDNROQ-LFIBNONCSA-N", "inchikey2D": "MIWGXXQCEDNROQ", "names": [ "(2e)-6-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-4-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O7", "smiles": "C/C(=C\\C(O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0102929" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DINWVVGAULGGQI-MQIPJXDCSA-N": { "inchikey": "DINWVVGAULGGQI-MQIPJXDCSA-N", "inchikey2D": "DINWVVGAULGGQI", "names": [ "(2r,2'r,5's)-5-hydroxy-3-oxo-5'-(3-oxoprop-1-en-2-yl)spiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylic acid", "Spiroapplanatumine N" ], "molecular_formula": "C16H14O6", "smiles": "C=C(C=O)[C@@H]1CC[C@@H](C(=O)O)[C@]12Oc1ccc(O)cc1C2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0270686", "npaid": "NPA022127" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "MJNJDEOIGYUNBO-XKGHZETQSA-N": { "inchikey": "MJNJDEOIGYUNBO-XKGHZETQSA-N", "inchikey2D": "MJNJDEOIGYUNBO", "names": [ "(-)-spirocochlealactone C", "(3r,4r)-3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-6-hydroxy-4'-(4-methylpent-3-en-1-yl)spiro[1-benzopyran-4,2'-furan]-2,5'-dione" ], "molecular_formula": "C37H42O8", "smiles": "CC(C)=CCCC1=C[C@@]2(OC1=O)c1cc(O)ccc1OC(=O)[C@]2(CC/C=C(\\C)CCC=C(C)C)CC(=O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0240376", "npaid": "NPA028198" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "UBUDHORULOYWEA-BKDNQFJXSA-N": { "inchikey": "UBUDHORULOYWEA-BKDNQFJXSA-N", "inchikey2D": "UBUDHORULOYWEA", "names": [ "(+)-applanatumol X", "(3s,6s,7r)-11-hydroxy-8-oxo-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-6-carboxylic acid" ], "molecular_formula": "C13H12O5", "smiles": "O=C(O)[C@H]1CC[C@@H]2Oc3ccc(O)cc3C(=O)[C@@H]21", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0194970", "npaid": "NPA001525" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "VLXDPFLIRFYIME-MWHZVNNOSA-N": { "inchikey": "VLXDPFLIRFYIME-MWHZVNNOSA-N", "inchikey2D": "VLXDPFLIRFYIME", "names": [ "(1s)-8-isopropyl-1,3-dimethyltricyclo[4.4.0.0²,⁷]dec-3-ene" ], "molecular_formula": "C15H24", "smiles": "CC1=CCC2C3C(C(C)C)CC[C@]2(C)C13", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0199723" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GYRDSOABOBCYST-HCJPIJGJSA-N": { "inchikey": "GYRDSOABOBCYST-HCJPIJGJSA-N", "inchikey2D": "GYRDSOABOBCYST", "names": [ "(4r)-4-[(1r,3ar,4s,5as,9as,11s,11ar)-4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H38O7", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0065122" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GXKWNYCHKLAQPO-IKMFBUDCSA-N": { "inchikey": "GXKWNYCHKLAQPO-IKMFBUDCSA-N", "inchikey2D": "GXKWNYCHKLAQPO", "names": [ 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Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "KNApSAcK", "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0067925", "npaid": "NPA013150", "knapsack_cid": "C00003131" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma", "GREY:Aspergillus", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QRWTVFKEWNICIM-ZYHUDNBSSA-N": { "inchikey": "QRWTVFKEWNICIM-ZYHUDNBSSA-N", "inchikey2D": "QRWTVFKEWNICIM", "names": [ "(-)-chizhine B", "(3r,5s)-3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(2-methylprop-1-en-1-yl)oxolan-2-one" ], "molecular_formula": "C16H18O5", "smiles": "CC(C)=C[C@@H]1C[C@H](CC(=O)c2cc(O)ccc2O)C(=O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0223539", "npaid": "NPA003001" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XZFXVBWSDABZIS-OVCLIPMQSA-N": { "inchikey": "XZFXVBWSDABZIS-OVCLIPMQSA-N", "inchikey2D": "XZFXVBWSDABZIS", "names": [ "Ganofuran B", "ganofuran b" ], "molecular_formula": "C21H26O4", "smiles": "CC(C)=CCC/C(C)=C/CCC(C(=O)O)c1cc2cc(O)ccc2o1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0234771", "npaid": "NPA012165" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HAVMVUFJSIMVDG-FMDFGACUSA-N": { "inchikey": "HAVMVUFJSIMVDG-FMDFGACUSA-N", "inchikey2D": "HAVMVUFJSIMVDG", "names": [ "(4r)-4-[(1r,3ar,5ar,6r,7s,9as,11s,11ar)-7,11-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H38O8", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0212138" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LVGXQNCCBAHXHL-RZAPKCPPSA-N": { "inchikey": "LVGXQNCCBAHXHL-RZAPKCPPSA-N", "inchikey2D": "LVGXQNCCBAHXHL", "names": [ "(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2r)-2-[(1r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoate" ], "molecular_formula": "C38H60O9", "smiles": "CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CC3", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0231846" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "AUTTVRRIMYDHJY-OZVIIMIRSA-N": { "inchikey": "AUTTVRRIMYDHJY-OZVIIMIRSA-N", "inchikey2D": "AUTTVRRIMYDHJY", "names": [ "(2s,2's,5's)-5-hydroxy-5'-(3-hydroxyprop-1-en-2-yl)-3-oxospiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylic acid", "Spiroapplanatumine M" ], "molecular_formula": "C16H16O6", "smiles": "C=C(CO)[C@@H]1CC[C@H](C(=O)O)[C@@]12Oc1ccc(O)cc1C2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0200419", "npaid": "NPA022126" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "IFYDZTDBJZWEPK-UHFFFAOYSA-N": { "inchikey": "IFYDZTDBJZWEPK-UHFFFAOYSA-N", "inchikey2D": "IFYDZTDBJZWEPK", "names": [ "2-hydroxycerotic acid" ], "molecular_formula": "C26H52O3", "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0238968" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "QIZQYDGATDXOSJ-UHFFFAOYSA-N": { "inchikey": "QIZQYDGATDXOSJ-UHFFFAOYSA-N", "inchikey2D": "QIZQYDGATDXOSJ", "names": [ "methyl 2-methyl-4-oxo-6-{4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}heptanoate" ], "molecular_formula": "C31H46O8", "smiles": 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"VQYWTFJFAJFDIW-UHFFFAOYSA-N", "inchikey2D": "VQYWTFJFAJFDIW", "names": [ "6-{3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-5-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H46O5", "smiles": "CC(=CCC(O)C(C)C1CC(O)C2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0222399" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WXOJULRVRHWMGT-UHFFFAOYSA-N": { "inchikey": "WXOJULRVRHWMGT-UHFFFAOYSA-N", "inchikey2D": "WXOJULRVRHWMGT", "names": [ "2-(6-aminopurin-9-yl)-5-(methanesulfinylmethyl)oxolane-3,4-diol" ], "molecular_formula": "C11H15N5O4S", "smiles": "C[S+]([O-])CC1OC(n2cnc3c(N)ncnc32)C(O)C1O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0240948" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "USMNOWBWPHYOEA-MRTMQBJTSA-N": { "inchikey": "USMNOWBWPHYOEA-MRTMQBJTSA-N", "inchikey2D": "USMNOWBWPHYOEA", "names": [ "(-)-3-Isothujone", "thujone" ], "molecular_formula": "C10H16O", "smiles": "CC(C)[C@]12CC(=O)[C@H](C)[C@H]1C2", "species": [ "Ganoderma lucidum", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "KNApSAcK", "LOTUS" ], "external_ids": { "lotus_id": "LTS0197087", "knapsack_cid": "C00000804" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ASVBQOYWONHOKP-UHFFFAOYSA-N": { "inchikey": "ASVBQOYWONHOKP-UHFFFAOYSA-N", "inchikey2D": "ASVBQOYWONHOKP", "names": [ "6-[4,11-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H42O8", "smiles": "CC(=CCCC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(CO)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0274598" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "VVROITPOWNOLCH-XTQWKZIOSA-N": { "inchikey": "VVROITPOWNOLCH-XTQWKZIOSA-N", "inchikey2D": "VVROITPOWNOLCH", "names": [ "(+)-spirocochlealactone B", "(3s,4s)-3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4'-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-6-hydroxy-3-(4-methylpent-3-en-1-yl)spiro[1-benzopyran-4,2'-furan]-2,5'-dione" ], "molecular_formula": "C37H42O8", "smiles": "CC(C)=CCC/C(C)=C/CCC1=C[C@]2(OC1=O)c1cc(O)ccc1OC(=O)[C@@]2(CCC=C(C)C)CC(=O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0084667", "npaid": "NPA028197" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "PWSMDKBWXADYJS-HPMFNFBQSA-N": { "inchikey": "PWSMDKBWXADYJS-HPMFNFBQSA-N", "inchikey2D": "PWSMDKBWXADYJS", "names": [ "lucidenic acid g" ], "molecular_formula": "C27H40O7", "smiles": "C[C@H](CCC(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@](C)(CO)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0215781" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GZVVHHXNPRBBSD-DJSGYFEHSA-N": { "inchikey": "GZVVHHXNPRBBSD-DJSGYFEHSA-N", "inchikey2D": "GZVVHHXNPRBBSD", "names": [ "(+)-applanatumol K", "(1r,2r,4r)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2,4-dihydroxy-3-methylidenecyclohexane-1-carboxylic acid" ], "molecular_formula": "C16H18O7", "smiles": "C=C1[C@H](O)CC[C@](CC(=O)c2cc(O)ccc2O)(C(=O)O)[C@@H]1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0234660", "npaid": "NPA018956" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "QCVRSGNBFSDECT-UHFFFAOYSA-N": { "inchikey": "QCVRSGNBFSDECT-UHFFFAOYSA-N", "inchikey2D": "QCVRSGNBFSDECT", "names": [ "methyl 6-[3,7-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H48O7", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0216597" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CSKGXFUFBCYWJL-KLLCHIFESA-N": { "inchikey": "CSKGXFUFBCYWJL-KLLCHIFESA-N", "inchikey2D": "CSKGXFUFBCYWJL", "names": [ "3-[(1r,2s,3r,5r,6r,10s,11s,13r)-3-hydroxy-2,6,10-trimethyl-5-[(1e)-1-[(2s,4r)-4-methyl-5-oxooxolan-2-yl]prop-1-en-2-yl]-7-oxo-11-(prop-1-en-2-yl)-14-oxatetracyclo[7.5.0.0¹,¹³.0²,⁶]tetradec-8-en-10-yl]propanoic acid", "Applanlactone C" ], "molecular_formula": "C30H40O7", "smiles": "C=C(C)[C@@H]1C[C@H]2O[C@@]23C(=CC(=O)[C@]2(C)[C@@H](/C(C)=C/[C@@H]4C[C@@H](C)C(=O)O4)C[C@@H](O)[C@]23C)[C@@]1(C)CCC(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0061288", "npaid": "NPA025885" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "KZSJJLYAVJDVEZ-UHFFFAOYSA-N": { "inchikey": "KZSJJLYAVJDVEZ-UHFFFAOYSA-N", "inchikey2D": "KZSJJLYAVJDVEZ", "names": [ "6-[4,11-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O7", "smiles": "CC(=CCCC(C)C1CCC2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(CO)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0218911" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "QIYPKRHGDIQKEC-WWQYYNNASA-N": { "inchikey": "QIYPKRHGDIQKEC-WWQYYNNASA-N", "inchikey2D": "QIYPKRHGDIQKEC", "names": [ "(6r)-6-[(1r,3ar,5ar,9as,11ar)-6,6,9a-trimethyl-4,7-dioxo-1h,2h,3h,3ah,5h,5ah,8h,9h,10h,11h,11ah-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C28H40O4", "smiles": "CC(=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@H]21)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0077878" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DRCONWGQHWLZJX-UHFFFAOYSA-N": { "inchikey": "DRCONWGQHWLZJX-UHFFFAOYSA-N", "inchikey2D": "DRCONWGQHWLZJX", "names": [ "6-hydroxy-2-methyl-4-oxo-6-{7,8,17-trihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl}heptanoic acid" ], "molecular_formula": "C30H42O9", "smiles": "CC(CC(=O)CC(C)(O)C1=CC(O)C2(C)C1(C)C(=O)C=C1C3(C)CC(O)C(O)C(C)(C)C3CC3OC132)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0233423" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "CRCPKXOHOXZGDW-UHFFFAOYSA-N": { "inchikey": "CRCPKXOHOXZGDW-UHFFFAOYSA-N", "inchikey2D": "CRCPKXOHOXZGDW", "names": [ "5-hydroxy-7'-(methoxycarbonyl)-3-oxospiro[1-benzofuran-2,1'-cycloheptan]-3'-ene-3'-carboxylic acid" ], "molecular_formula": "C17H16O7", "smiles": "COC(=O)C1CCC=C(C(=O)O)CC12Oc1ccc(O)cc1C2=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0095298" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "WISYORQOKQXQDW-UHFFFAOYSA-N": { "inchikey": "WISYORQOKQXQDW-UHFFFAOYSA-N", "inchikey2D": "WISYORQOKQXQDW", "names": [ "methyl 4-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pent-4-enoate" ], "molecular_formula": "C28H38O6", "smiles": "C=C(CCC(=O)OC)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0216434" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QMVWPQNCQKAQSJ-UHFFFAOYSA-N": { "inchikey": "QMVWPQNCQKAQSJ-UHFFFAOYSA-N", "inchikey2D": "QMVWPQNCQKAQSJ", "names": [ "methyl 2-methyl-4-oxo-6-{4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}hept-5-enoate" ], "molecular_formula": "C31H44O8", "smiles": "COC(=O)C(C)CC(=O)C=C(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0079291" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NUTLQKXDJNCAOL-WQBLBXPZSA-N": { "inchikey": "NUTLQKXDJNCAOL-WQBLBXPZSA-N", "inchikey2D": "NUTLQKXDJNCAOL", "names": [ "(6r)-6-[(1r,3s,3ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid", "Ganoderic acid Jc" ], "molecular_formula": "C30H44O5", "smiles": "CC(=CC(O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0086215", "npaid": "NPA010123" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "JJEVWMMZVRKZMT-UHFFFAOYSA-N": { "inchikey": "JJEVWMMZVRKZMT-UHFFFAOYSA-N", "inchikey2D": "JJEVWMMZVRKZMT", "names": [ "5-(2,5-dihydroxyphenyl)-3-(4,8-dimethyl-6-oxonona-3,7-dien-1-yl)-5h-furan-2-one" ], "molecular_formula": "C21H24O5", "smiles": "CC(C)=CC(=O)CC(C)=CCCC1=CC(c2cc(O)ccc2O)OC1=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0082563" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KXYWXCIDKNDYTK-AGQWPSIZSA-N": { "inchikey": "KXYWXCIDKNDYTK-AGQWPSIZSA-N", "inchikey2D": "KXYWXCIDKNDYTK", "names": [ "methyl (2r,6s)-6-[(1r,3ar,5as,7s,9as,11s,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C33H46O9", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0269423" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UHQOYWRQNBWEAM-UHFFFAOYSA-N": { "inchikey": "UHQOYWRQNBWEAM-UHFFFAOYSA-N", "inchikey2D": "UHQOYWRQNBWEAM", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C28H44O", "smiles": "CC(C)C(C)C=CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)CC1C=C3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0080684" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QWFPQDGDUOGOJF-XYJOMJKUSA-N": { "inchikey": "QWFPQDGDUOGOJF-XYJOMJKUSA-N", "inchikey2D": "QWFPQDGDUOGOJF", "names": [ "(1r,3ar,5ar,9as,11ar)-1-[(2s,5e)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H46O2", "smiles": "C/C(=C\\CC[C@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0195542" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SBGVGAGMQOZWRL-LHNCDOQRSA-N": { "inchikey": "SBGVGAGMQOZWRL-LHNCDOQRSA-N", "inchikey2D": "SBGVGAGMQOZWRL", "names": [ "(1r,3ar,5ar,7r,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2r)-6-methyl-1-[(3,4,5-trihydroxyoxan-2-yl)oxy]hept-5-en-2-yl]-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl acetate", "Tsugarioside C" ], "molecular_formula": "C37H60O7", "smiles": "CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)COC2OCC(O)C(O)C2O)[C@@]1(C)CC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0221236", "npaid": "NPA000283" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "XESIYWREAFIQIZ-UHFFFAOYSA-N": { "inchikey": "XESIYWREAFIQIZ-UHFFFAOYSA-N", "inchikey2D": "XESIYWREAFIQIZ", "names": [ "6-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-1,2-dihydroxy-2-methylheptan-3-yl 2-[2-(2,5-dihydroxyphenyl)ethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoate" ], "molecular_formula": "C51H74O8", "smiles": "CC(=CCCC(C)=CCCC(=CCc1cc(O)ccc1O)C(=O)OC(CCC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)C(C)(O)CO)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0209902" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "KMWGWTNMXOQIAG-OLYQEQHRSA-N": { "inchikey": "KMWGWTNMXOQIAG-OLYQEQHRSA-N", "inchikey2D": "KMWGWTNMXOQIAG", "names": [ "(2e,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enal", "Lucialdehyde D" ], "molecular_formula": "C30H42O4", "smiles": "C/C(C=O)=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0061965", "npaid": "NPA011903" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "KQPHEVLEJQGFTM-UHFFFAOYSA-N": { "inchikey": "KQPHEVLEJQGFTM-UHFFFAOYSA-N", "inchikey2D": "KQPHEVLEJQGFTM", "names": [ "6-(6-{[(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy]methyl}-11-hydroxy-3a,6,9a,11a-tetramethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl)-2-methylhept-2-enoic acid" ], "molecular_formula": "C36H48O12", "smiles": "CC(=CCCC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(COC(=O)CC(C)(O)CC(=O)O)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0086196" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "PIOYBULRRJNPSG-UHFFFAOYSA-N": { "inchikey": "PIOYBULRRJNPSG-UHFFFAOYSA-N", "inchikey2D": "PIOYBULRRJNPSG", "names": [ "6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enal" ], "molecular_formula": "C30H46O3", "smiles": "CC(C=O)=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0203613" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JICYAOVVIDYKJQ-JUNIJPMISA-N": { "inchikey": "JICYAOVVIDYKJQ-JUNIJPMISA-N", "inchikey2D": "JICYAOVVIDYKJQ", "names": [ "(2e,6r)-6-[(3ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Resinacein A" ], "molecular_formula": "C30H46O4", "smiles": "C/C(=C\\CC[C@@H](C)C1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0214348", "npaid": "NPA023675" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "LVYOXPQJURJWPC-UHFFFAOYSA-N": { "inchikey": "LVYOXPQJURJWPC-UHFFFAOYSA-N", "inchikey2D": "LVYOXPQJURJWPC", "names": [ "2-{2-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-enoic acid" ], "molecular_formula": "C30H44O4", "smiles": "CC(C)=CCCC(C(=O)O)C1C(O)CC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0073274" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "JVABUELIHJXLKP-JBOPJBCTSA-N": { "inchikey": "JVABUELIHJXLKP-JBOPJBCTSA-N", "inchikey2D": "JVABUELIHJXLKP", "names": [ "(2e,6r)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoderic acid T-Q" ], "molecular_formula": "C32H46O5", "smiles": "CC(=O)O[C@H]1C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0102775", "npaid": "NPA008425" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JEEZGEOEIPEZES-VHYGIHCOSA-N": { "inchikey": "JEEZGEOEIPEZES-VHYGIHCOSA-N", "inchikey2D": "JEEZGEOEIPEZES", "names": [ "4-[(1r,3ar,6r,7s,9as,11s,11ar)-11-(acetyloxy)-7-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid", "Lucidenic acid R" ], "molecular_formula": "C29H40O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)CC3[C@]2(C)CC[C@H](O)[C@@]3(C)CO)[C@]2(C)C(=O)C[C@H](C(C)CCC(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0273496", "npaid": "NPA026270" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "TWEYHQNEHHTSGK-UHFFFAOYSA-N": { "inchikey": "TWEYHQNEHHTSGK-UHFFFAOYSA-N", "inchikey2D": "TWEYHQNEHHTSGK", "names": [ "4,15-dihydroxy-3,3,7-trimethyl-2-oxabicyclo[12.3.1]octadeca-1(17),7,11,14(18),15-pentaene-11-carboxylic acid" ], "molecular_formula": "C21H28O5", "smiles": "CC1=CCCC(C(=O)O)=CCc2cc(ccc2O)OC(C)(C)C(O)CC1", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0080014" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "MKRUQZJVIBXVNG-HNNUZJDUSA-N": { "inchikey": "MKRUQZJVIBXVNG-HNNUZJDUSA-N", "inchikey2D": "MKRUQZJVIBXVNG", "names": [ "methyl (4r)-4-[(1r,3ar,4s,5ar,7s,9as,11s,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C28H42O7", "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0236389" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FNVFWDUJQFPKMO-WBTPOYDOSA-N": { "inchikey": "FNVFWDUJQFPKMO-WBTPOYDOSA-N", "inchikey2D": "FNVFWDUJQFPKMO", "names": [ "6-[(3ar,5ar,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-ylidene]-2-methyl-4-oxoheptanoic acid", "Ganodernoid D" ], "molecular_formula": "C32H40O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)C(=O)CC(=C(C)CC(=O)CC(C)C(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0273205", "npaid": "NPA014201" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YTQAKTDSTUEPNZ-JREPXQSNSA-N": { "inchikey": "YTQAKTDSTUEPNZ-JREPXQSNSA-N", "inchikey2D": "YTQAKTDSTUEPNZ", "names": [ "(1r,3ar,5ar,9as,11ar)-1-[(2r,5s)-6-hydroxy-5,6-dimethylheptan-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C31H50O2", "smiles": "C[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)(C)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0069253" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NMCAFQWJQYPXBS-UHFFFAOYSA-N": { "inchikey": "NMCAFQWJQYPXBS-UHFFFAOYSA-N", "inchikey2D": "NMCAFQWJQYPXBS", "names": [ "7-hydroxy-1-(7-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-10-one" ], "molecular_formula": "C30H48O3", "smiles": "CC(=CCCC(C)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3)CO", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0083902" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "BPJPBLZKOVIJQD-YYFGTHFASA-N": { "inchikey": "BPJPBLZKOVIJQD-YYFGTHFASA-N", "inchikey2D": "BPJPBLZKOVIJQD", "names": [ "(6r)-6-[(1r,3ar,4s,5ar,7s,9as,11s,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O8", "smiles": "CC(CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0073858" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DDRCMNMGPGTECR-UHFFFAOYSA-N": { "inchikey": "DDRCMNMGPGTECR-UHFFFAOYSA-N", "inchikey2D": "DDRCMNMGPGTECR", "names": [ "1-{4-[3-(hydroxymethyl)-3-methyloxiran-2-yl]butan-2-yl}-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C30H48O3", "smiles": "CC(CCC1OC1(C)CO)C1CCC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0196362" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ORVNVUQPUSWABI-GDZNZVCISA-N": { "inchikey": "ORVNVUQPUSWABI-GDZNZVCISA-N", "inchikey2D": "ORVNVUQPUSWABI", "names": [ "Spiroapplanatumine K", "methyl (2r,2'r,5's)-5-hydroxy-5'-(3-hydroxyprop-1-en-2-yl)-3-oxospiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylate" ], "molecular_formula": "C17H18O6", "smiles": "C=C(CO)[C@@H]1CC[C@@H](C(=O)OC)[C@]12Oc1ccc(O)cc1C2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0215023", "npaid": "NPA022123" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "BYRGJKZMDMBDDL-POESAPRRSA-N": { "inchikey": "BYRGJKZMDMBDDL-POESAPRRSA-N", "inchikey2D": "BYRGJKZMDMBDDL", "names": [ "(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-1-[(2r)-6-hydroxy-4-oxoheptan-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-10-one", "26-nor-11,23-dioxo-5α-lanost-8-en-3β,7β,15α,25-tetrol" ], "molecular_formula": "C29H46O6", "smiles": "CC(O)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0212938", "npaid": "NPA009623" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "BLYISEBTSCBMSM-IMZAKLINSA-N": { "inchikey": "BLYISEBTSCBMSM-IMZAKLINSA-N", "inchikey2D": "BLYISEBTSCBMSM", "names": [ "methyl (4r)-4-[(1r,3ar,4s,5ar,6r,7s,9as,11ar)-4,7-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C28H42O7", "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0225251" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FNVFWDUJQFPKMO-UHFFFAOYSA-N": { "inchikey": "FNVFWDUJQFPKMO-UHFFFAOYSA-N", "inchikey2D": "FNVFWDUJQFPKMO", "names": [ "6-[11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-ylidene]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H40O9", "smiles": "CC(=O)OC1C(=O)C2=C(C(=O)CC3C(C)(C)C(=O)CCC23C)C2(C)C(=O)CC(=C(C)CC(=O)CC(C)C(=O)O)C12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0093652" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BTYTWXWAFWKSTA-UHFFFAOYSA-N": { "inchikey": "BTYTWXWAFWKSTA-UHFFFAOYSA-N", "inchikey2D": "BTYTWXWAFWKSTA", "names": [ "6-{7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O8", "smiles": "CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0091757" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UTHBIXXKXDUNGA-HNFDVGSYSA-N": { "inchikey": "UTHBIXXKXDUNGA-HNFDVGSYSA-N", "inchikey2D": "UTHBIXXKXDUNGA", "names": [ "(2e,6r)-6-[(1r,3ar,5ar,6r,9as,11ar)-6-({[(3s)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy}methyl)-3a,6,9a,11a-tetramethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoleucoin L" ], "molecular_formula": "C36H48O11", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0053315", "npaid": "NPA012322" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "PWADAHTZZKLCAK-UHFFFAOYSA-N": { "inchikey": "PWADAHTZZKLCAK-UHFFFAOYSA-N", "inchikey2D": "PWADAHTZZKLCAK", "names": [ "4-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoic acid" ], "molecular_formula": "C27H40O4", "smiles": "CC(CCC(=O)O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0208390" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "GUVHIYQXEZUQDO-UHFFFAOYSA-N": { "inchikey": "GUVHIYQXEZUQDO-UHFFFAOYSA-N", "inchikey2D": "GUVHIYQXEZUQDO", "names": [ "1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-hydroxy-3-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid" ], "molecular_formula": "C16H18O7", "smiles": "O=C(CC1(C(=O)O)CCC=C(CO)C1O)c1cc(O)ccc1O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0223881" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "LYPMWWKFDBLENE-KETOQCDDSA-N": { "inchikey": "LYPMWWKFDBLENE-KETOQCDDSA-N", "inchikey2D": "LYPMWWKFDBLENE", "names": [ "(6r)-6-[(1r,3as,3br,5ar,9as,9bs,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-octahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "8β,9α-dihydroganoderic acid C" ], "molecular_formula": "C30H42O7", "smiles": "CC(CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)[C@@H]3C(=O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0052014", "npaid": "NPA017668" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VAEJXEVKHVVLMH-ODHMFEJESA-N": { "inchikey": "VAEJXEVKHVVLMH-ODHMFEJESA-N", "inchikey2D": "VAEJXEVKHVVLMH", "names": [ "(2r,3s,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dihydroxy-2-methylheptyl (2z,5e,9e)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoate" ], "molecular_formula": "C51H72O9", "smiles": "C/C(=C\\CC/C(C)=C/CC/C(=C/C(=O)c1cc(O)ccc1O)C(=O)OC[C@@](C)(O)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0208958" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "CYIDHGULAFNHLR-UHFFFAOYSA-N": { "inchikey": "CYIDHGULAFNHLR-UHFFFAOYSA-N", "inchikey2D": "CYIDHGULAFNHLR", "names": [ "butyl 4-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoate" ], "molecular_formula": "C31H50O5", "smiles": "CCCCOC(=O)CCC(C)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0059201" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CKPPQLWWWRCXHL-UHFFFAOYSA-N": { "inchikey": "CKPPQLWWWRCXHL-UHFFFAOYSA-N", "inchikey2D": "CKPPQLWWWRCXHL", "names": [ "5-[5-(2,5-dihydroxyphenyl)-5-methoxy-2-oxofuran-3-yl]-2-methylpent-2-enal" ], "molecular_formula": "C17H18O6", "smiles": "COC1(c2cc(O)ccc2O)C=C(CCC=C(C)C=O)C(=O)O1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0213863" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MIRXTBPIFWAALT-CFEZUOAUSA-N": { "inchikey": "MIRXTBPIFWAALT-CFEZUOAUSA-N", "inchikey2D": "MIRXTBPIFWAALT", "names": [ "(3s,7s,10s,14r,15s,18r)-15-acetyl-7-hydroxy-6,6,10,14,18-pentamethyl-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-ene-13,17-dione", "7β,8-epoxy-3β-hydroxy-4,4,14α-trimethyl-12,15,20-trioxo-5α-pregn-9(11)-ene" ], "molecular_formula": "C24H32O5", "smiles": "CC(=O)[C@H]1CC(=O)[C@@]2(C)C34O[C@H]3CC3C(C)(C)[C@@H](O)CC[C@]3(C)C4=CC(=O)[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0198443", "npaid": "NPA024195" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "YTVGSCZIHGRVAV-UHFFFAOYSA-N": { "inchikey": "YTVGSCZIHGRVAV-UHFFFAOYSA-N", "inchikey2D": "YTVGSCZIHGRVAV", "names": [ "6-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O7", "smiles": "CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0222559" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RYYPAZDIGKUCGJ-UHFFFAOYSA-N": { "inchikey": "RYYPAZDIGKUCGJ-UHFFFAOYSA-N", "inchikey2D": "RYYPAZDIGKUCGJ", "names": [ "6-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohexanoic acid" ], "molecular_formula": "C29H42O7", "smiles": "CC(CC(=O)CCC1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0223298" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GTYYBTOUBKQAKH-UHFFFAOYSA-N": { "inchikey": "GTYYBTOUBKQAKH-UHFFFAOYSA-N", "inchikey2D": "GTYYBTOUBKQAKH", "names": [ "4-[3,4,7-trihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pent-4-enoic acid" ], "molecular_formula": "C27H40O7", "smiles": "C=C(CCC(=O)O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0231511" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XZFXVBWSDABZIS-UHFFFAOYSA-N": { "inchikey": "XZFXVBWSDABZIS-UHFFFAOYSA-N", "inchikey2D": "XZFXVBWSDABZIS", "names": [ "2-(5-hydroxy-1-benzofuran-2-yl)-6,10-dimethylundeca-5,9-dienoic acid" ], "molecular_formula": "C21H26O4", "smiles": "CC(C)=CCCC(C)=CCCC(C(=O)O)c1cc2cc(O)ccc2o1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0267372" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QECQJYAIIIIKJB-XYJGWYKWSA-N": { "inchikey": "QECQJYAIIIIKJB-XYJGWYKWSA-N", "inchikey2D": "QECQJYAIIIIKJB", "names": [ "(5z)-6-[(3ar,4s,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid", "Ganoderenic acid B" ], "molecular_formula": "C30H42O7", "smiles": "C/C(=C/C(=O)CC(C)C(=O)O)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0190997", "npaid": "NPA003821" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GJTWWQXLOACZKG-UHFFFAOYSA-N": { "inchikey": "GJTWWQXLOACZKG-UHFFFAOYSA-N", "inchikey2D": "GJTWWQXLOACZKG", "names": [ "6-[6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h-cyclopenta[a]naphthalen-3-yl]-6-hydroxy-2-methyl-3-methylidene-4-oxoheptanoic acid" ], "molecular_formula": "C31H44O6", "smiles": "C=C(C(=O)CC(C)(O)C1CCC2(C)C3=CCC(C(=C)C)C(C)(CCC(=O)O)C3=CCC12C)C(C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0207837" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CRCPKXOHOXZGDW-SJCJKPOMSA-N": { "inchikey": "CRCPKXOHOXZGDW-SJCJKPOMSA-N", "inchikey2D": "CRCPKXOHOXZGDW", "names": [ "(2s,7'r)-5-hydroxy-7'-(methoxycarbonyl)-3-oxospiro[1-benzofuran-2,1'-cycloheptan]-3'-ene-3'-carboxylic acid", "Spiroapplanatumine C" ], "molecular_formula": "C17H16O7", "smiles": "COC(=O)[C@@H]1CCC=C(C(=O)O)C[C@]12Oc1ccc(O)cc1C2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0210245", "npaid": "NPA022134" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "OEHYQHPDUCRLMW-BHYSALSHSA-N": { "inchikey": "OEHYQHPDUCRLMW-BHYSALSHSA-N", "inchikey2D": "OEHYQHPDUCRLMW", "names": [ "(6r)-6-[(1r,3ar,4s,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H46O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C([C@@H](O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@H](C)CC(=O)CC(C)C(=O)O)[C@@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0093428" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LRUBMNONCXXESU-XMIHSAFHSA-N": { "inchikey": "LRUBMNONCXXESU-XMIHSAFHSA-N", "inchikey2D": "LRUBMNONCXXESU", "names": [ "(17S,23S)-17,23-epoxy-3β,15α-dihydroxy-11-oxo-5α-lanosta-8-en-26,23-olide", 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"molecular_formula": "C37H56O9", "smiles": "CO[C@@H]1C[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)[C@H](C/C=C(\\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0090757" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KQKZINUOFUEGEI-UHFFFAOYSA-N": { "inchikey": "KQKZINUOFUEGEI-UHFFFAOYSA-N", "inchikey2D": "KQKZINUOFUEGEI", "names": [ "5-(acetyloxy)-6-[3-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O7", "smiles": "CC(=O)OC(CC=C(C)C(=O)O)C(C)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": 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"source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0267646" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "DGDZKQQCSYXYAZ-YGWKKTPTSA-N": { "inchikey": "DGDZKQQCSYXYAZ-YGWKKTPTSA-N", "inchikey2D": "DGDZKQQCSYXYAZ", "names": [ "Butyl lucidenate D2", "butyl (4r)-4-[(1r,3ar,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C33H46O8", "smiles": "CCCCOC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0216398", "npaid": "NPA013300" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YCXUCEXEMJPDRZ-YIRLAGBYSA-N": { "inchikey": "YCXUCEXEMJPDRZ-YIRLAGBYSA-N", "inchikey2D": "YCXUCEXEMJPDRZ", "names": [ "(6r)-6-[(1r,3ar,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H44O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@H](C)CC(=O)CC(C)C(=O)O)[C@@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0230422" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QYDYPVFESGNLHU-ZHACJKMWSA-N": { "inchikey": "QYDYPVFESGNLHU-ZHACJKMWSA-N", "inchikey2D": "QYDYPVFESGNLHU", "names": [ "methyl elaidate" ], "molecular_formula": "C19H36O2", "smiles": "CCCCCCCC/C=C/CCCCCCCC(=O)OC", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0009425" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "LNMGLKYHDAZCDA-KYNGRMOBSA-N": { "inchikey": "LNMGLKYHDAZCDA-KYNGRMOBSA-N", "inchikey2D": "LNMGLKYHDAZCDA", "names": [ "(5e)-6-[(1r,3ar,7s,9as,11s,11ar)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid", "Resinacein L" ], "molecular_formula": "C30H40O8", "smiles": "C/C(=C\\C(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0171887", "npaid": "NPA023686" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "ZWMMEKXOLCCKLA-UKQSEQLYSA-N": { "inchikey": "ZWMMEKXOLCCKLA-UKQSEQLYSA-N", "inchikey2D": "ZWMMEKXOLCCKLA", "names": [ "(6s)-6-[(1s,3ar,4s,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O8", "smiles": "CC(CC(=O)C[C@](C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0234588" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OTUZGGSAOMCYNC-UHFFFAOYSA-N": { "inchikey": "OTUZGGSAOMCYNC-UHFFFAOYSA-N", "inchikey2D": "OTUZGGSAOMCYNC", "names": [ "6-[3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O6", 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lucidum==Ganoderma" ] }, "XGIKTGNVQMUAHS-UHFFFAOYSA-N": { "inchikey": "XGIKTGNVQMUAHS-UHFFFAOYSA-N", "inchikey2D": "XGIKTGNVQMUAHS", "names": [ "methyl 6-{4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O9", "smiles": "COC(=O)C(C)CC(=O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0050610" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JVGJXXNUVVQEIG-XXGFWTOTSA-N": { "inchikey": "JVGJXXNUVVQEIG-XXGFWTOTSA-N", "inchikey2D": "JVGJXXNUVVQEIG", "names": [ "(1r,3ar,5ar,9as,11ar)-1-[(2s)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H46O3", "smiles": "C[C@@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0239784" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UMRPOGLIBDXFNK-UHFFFAOYSA-N": { "inchikey": "UMRPOGLIBDXFNK-UHFFFAOYSA-N", "inchikey2D": "UMRPOGLIBDXFNK", "names": [ "4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl acetate" ], "molecular_formula": "C32H52O2", "smiles": "CC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C)CCC23C)C1(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0153642" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "AUAXRALNWSHMRJ-UHFFFAOYSA-N": { "inchikey": "AUAXRALNWSHMRJ-UHFFFAOYSA-N", "inchikey2D": "AUAXRALNWSHMRJ", "names": [ "4-hydroxy-6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O6", "smiles": "CC(=CC(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0189344" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RXLRLJSRXDHQCH-ASNKJFCVSA-N": { "inchikey": "RXLRLJSRXDHQCH-ASNKJFCVSA-N", "inchikey2D": "RXLRLJSRXDHQCH", "names": [ "(2e,5s,6s)-6-[(1r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O6", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0222607" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VFCVARJMDQZNKD-JWDPCGDNSA-N": { "inchikey": "VFCVARJMDQZNKD-JWDPCGDNSA-N", "inchikey2D": "VFCVARJMDQZNKD", "names": [ "(2e,6s)-6-[(1r,3s,3ar,5ar,7s,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H46O4", "smiles": "C/C(=C\\CC[C@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0230393" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JJEVWMMZVRKZMT-FQEVSTJZSA-N": { "inchikey": "JJEVWMMZVRKZMT-FQEVSTJZSA-N", "inchikey2D": "JJEVWMMZVRKZMT", "names": [ "(-)-chizhine F", "(5s)-5-(2,5-dihydroxyphenyl)-3-(4,8-dimethyl-6-oxonona-3,7-dien-1-yl)-5h-furan-2-one" ], "molecular_formula": "C21H24O5", "smiles": "CC(C)=CC(=O)CC(C)=CCCC1=C[C@@H](c2cc(O)ccc2O)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0219208", "npaid": "NPA004451" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AMQGNLQZSMPDGV-UHFFFAOYSA-N": { "inchikey": "AMQGNLQZSMPDGV-UHFFFAOYSA-N", "inchikey2D": "AMQGNLQZSMPDGV", "names": [ "6-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H42O6", "smiles": "CC(=CCCC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0046717" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "QIZQYDGATDXOSJ-KTWGUNFUSA-N": { "inchikey": "QIZQYDGATDXOSJ-KTWGUNFUSA-N", "inchikey2D": "QIZQYDGATDXOSJ", "names": [ "methyl (2r,6s)-6-[(1r,3ar,4s,5as,7s,9as,11s,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O8", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0010575" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WYUGOKWLBXFMGU-UHFFFAOYSA-N": { "inchikey": "WYUGOKWLBXFMGU-UHFFFAOYSA-N", "inchikey2D": "WYUGOKWLBXFMGU", "names": [ "4-{4,7,10-trihydroxy-3a,6,6,9a,11a-pentamethyl-3-oxo-1h,2h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}pentanoic acid" ], "molecular_formula": "C27H42O6", "smiles": "CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0030123" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LSZVUGCMASOQBS-MEGFBMHJSA-N": { "inchikey": "LSZVUGCMASOQBS-MEGFBMHJSA-N", "inchikey2D": "LSZVUGCMASOQBS", "names": [ "(+)-applanatumol Q", "methyl (2s,5s)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(1-hydroxypropan-2-yl)oxolane-2-carboxylate" ], "molecular_formula": "C17H22O7", "smiles": "COC(=O)[C@@]1(CC(=O)c2cc(O)ccc2O)CC[C@@H](C(C)CO)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0185484", "npaid": "NPA016050" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "NMCAFQWJQYPXBS-ZQDYJVBASA-N": { "inchikey": "NMCAFQWJQYPXBS-ZQDYJVBASA-N", "inchikey2D": "NMCAFQWJQYPXBS", "names": [ "(3ar,7s,9as,11ar)-7-hydroxy-1-[(2r,5e)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-10-one", "Resinacein B" ], "molecular_formula": "C30H48O3", "smiles": "C/C(=C\\CC[C@@H](C)C1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0235185", "npaid": "NPA023676" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "NCWPXHMUBMRCHV-KEMHIYJBSA-N": { "inchikey": "NCWPXHMUBMRCHV-KEMHIYJBSA-N", "inchikey2D": "NCWPXHMUBMRCHV", "names": [ "(1r,3r,3ar,5ar,9as,11ar)-3-hydroxy-1-[(2r)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-7,10-dione", "Ganoleuconin I" ], "molecular_formula": "C30H46O5", "smiles": "C[C@H](CCC=C(CO)CO)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0234639", "npaid": "NPA018769" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "JTBDTJVGIGEPFI-LFIBNONCSA-N": { "inchikey": "JTBDTJVGIGEPFI-LFIBNONCSA-N", "inchikey2D": "JTBDTJVGIGEPFI", "names": [ "(2e)-6-{3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-4-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O7", "smiles": "C/C(=C\\C(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0216077" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CTBUPPQPICQVQX-XDXZQEKDSA-N": { "inchikey": "CTBUPPQPICQVQX-XDXZQEKDSA-N", "inchikey2D": "CTBUPPQPICQVQX", "names": [ "(1s,3s,3'r,3as,4s,4''s,5's,5ar,9as,11as)-3,4-dihydroxy-3',3a,4'',6,6,9a,11a-heptamethyl-2,3,4,5,5a,8,9,11-octahydrodispiro[cyclopenta[a]phenanthrene-1,2':5',2''-bis(oxolane)]-5'',7,10-trione", "Spiroganocalitone B" ], "molecular_formula": "C30H42O7", "smiles": "C[C@H]1C[C@]2(C[C@@H](C)[C@]3(C[C@H](O)[C@@]4(C)C5=C(C(=O)C[C@@]43C)[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@@H]5O)O2)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0164202", "npaid": "NPA023614" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "SHEXVLKGCVJHHF-ACCABTHSSA-N": { "inchikey": "SHEXVLKGCVJHHF-ACCABTHSSA-N", "inchikey2D": "SHEXVLKGCVJHHF", "names": [ "(1r,3as,5as,7s,9ar,9br,11ar)-3a,7-dihydroxy-1-[(2r,5s)-6-hydroxy-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one", "Ganocalidophin B" ], "molecular_formula": "C28H46O4", "smiles": "C[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0148286", "npaid": "NPA026059" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "OOXMSJIUFKXBFG-UHFFFAOYSA-N": { "inchikey": "OOXMSJIUFKXBFG-UHFFFAOYSA-N", "inchikey2D": "OOXMSJIUFKXBFG", "names": [ "3-[6-(5-methoxy-5-oxopentan-2-yl)-3,7-dimethyl-9-oxo-13-(prop-1-en-2-yl)-15-oxatetracyclo[10.2.1.0²,¹⁰.0³,⁷]pentadec-2(10)-en-12-yl]propanoic acid" ], "molecular_formula": "C28H40O6", "smiles": "C=C(C)C1CC2OC1(CCC(=O)O)CC1=C2C2(C)CCC(C(C)CCC(=O)OC)C2(C)CC1=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0226630" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "OTUZGGSAOMCYNC-WQRGJCNTSA-N": { "inchikey": "OTUZGGSAOMCYNC-WQRGJCNTSA-N", "inchikey2D": "OTUZGGSAOMCYNC", "names": [ "(2z,6r)-6-[(1r,3s,3ar,5ar,7r,9as,11ar)-3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O6", "smiles": "CC(=O)O[C@H]1C[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0022538" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XXRAHMQIWCNBKA-XZFWSZNQSA-N": { "inchikey": "XXRAHMQIWCNBKA-XZFWSZNQSA-N", "inchikey2D": "XXRAHMQIWCNBKA", "names": [ "3-[(3r,3ar,6s,9s,9br)-9-hydroxy-3-[(2r)-5-methoxy-5-oxopentan-2-yl]-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-6-yl]propanoic acid", "Fornicatin E" ], "molecular_formula": "C28H42O6", "smiles": "C=C(C)C1C[C@H](O)C2=C(C(=O)C[C@]3(C)[C@@H]([C@H](C)CCC(=O)OC)CC[C@@]23C)[C@@]1(C)CCC(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0179154", "npaid": "NPA011625" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "AAJIHHYEPHRIET-IYWVPRTKSA-N": { "inchikey": "AAJIHHYEPHRIET-IYWVPRTKSA-N", "inchikey2D": "AAJIHHYEPHRIET", "names": [ "(1r,3ar,5ar,9as,11ar)-1-[(2r,5r)-5,6-dihydroxy-6-methylheptan-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H48O3", "smiles": "C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0152746" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OCCKLFZPYIWUFJ-UHFFFAOYSA-N": { "inchikey": "OCCKLFZPYIWUFJ-UHFFFAOYSA-N", "inchikey2D": "OCCKLFZPYIWUFJ", "names": [ "4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-1-(2-methyl-5-oxooxolan-2-yl)-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthrene-3,10-dione" ], "molecular_formula": "C27H38O7", "smiles": "CC1(C2CC(=O)C3(C)C4=C(C(=O)C(O)C23C)C2(C)CCC(O)C(C)(C)C2CC4O)CCC(=O)O1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0018374" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BXIVNEDAKFDOSD-SINRGWJHSA-N": { "inchikey": "BXIVNEDAKFDOSD-SINRGWJHSA-N", "inchikey2D": "BXIVNEDAKFDOSD", "names": [ "(2e,6r)-6-[(1r,3ar,4s,5ar,6r,9as,11ar)-4-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoleuconin A" ], "molecular_formula": "C30H44O6", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0182689", "npaid": "NPA001171" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "AXCFVOYLKCXFOU-LNLVONGESA-N": { "inchikey": "AXCFVOYLKCXFOU-LNLVONGESA-N", "inchikey2D": "AXCFVOYLKCXFOU", "names": [ "(+)-cochlearoid P", "(2z,5e)-2-{2-[(1s,2r,5r)-5-(ethoxycarbonyl)-10,14-dihydroxy-2-(prop-1-en-2-yl)-6,18-dioxapentacyclo[9.7.1.1¹,⁵.0⁷,¹⁹.0¹²,¹⁷]icosa-7(19),8,10,12,14,16-hexaen-15-yl]ethylidene}-6,10-dimethylundeca-5,9-dienoic acid" ], "molecular_formula": "C39H46O8", "smiles": "C=C(C)[C@H]1CC[C@]2(C(=O)OCC)C[C@]13Oc1cc(C/C=C(/CC/C=C(\\C)CCC=C(C)C)C(=O)O)c(O)cc1-c1c(O)ccc(c13)O2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0225178", "npaid": "NPA026101" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "SNZQBBATMLGADX-UHFFFAOYSA-N": { "inchikey": "SNZQBBATMLGADX-UHFFFAOYSA-N", "inchikey2D": "SNZQBBATMLGADX", "names": [ "6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O4", "smiles": "CC(=CCCC(C)C1CC(O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0028216" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DYPIHYCSZZORMA-VAGJCMDPSA-N": { "inchikey": "DYPIHYCSZZORMA-VAGJCMDPSA-N", "inchikey2D": "DYPIHYCSZZORMA", "names": [ "6-hydroxy-6-[(1s,3s,10s,14r,17r,18s)-17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H40O8", "smiles": "CC(CC(=O)CC(C)(O)C1=C[C@@H](O)[C@@]2(C)[C@]34O[C@H]3CC3C(C)(C)C(=O)CC[C@]3(C)C4=CC(=O)[C@]12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0226942" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "JEVOHZHOHSNOGF-UHFFFAOYSA-N": { "inchikey": "JEVOHZHOHSNOGF-UHFFFAOYSA-N", "inchikey2D": "JEVOHZHOHSNOGF", "names": [ "1-acetyl-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-10-one" ], "molecular_formula": "C24H36O5", "smiles": "CC(=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0019959" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "TWZIYFUINRYVHC-LRDDRELGSA-N": { "inchikey": "TWZIYFUINRYVHC-LRDDRELGSA-N", "inchikey2D": "TWZIYFUINRYVHC", "names": [ "(2s,7'r)-3'-formyl-5-hydroxy-3-oxospiro[1-benzofuran-2,1'-cycloheptan]-3'-ene-7'-carboxylic acid", "Spiroapplanatumine G" ], "molecular_formula": "C16H14O6", "smiles": "O=CC1=CCC[C@@H](C(=O)O)[C@]2(C1)Oc1ccc(O)cc1C2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0225941", "npaid": "NPA022138" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "VNZZSZLDWOZUTF-ZAYMEUNYSA-N": { "inchikey": "VNZZSZLDWOZUTF-ZAYMEUNYSA-N", "inchikey2D": "VNZZSZLDWOZUTF", "names": [ "(1r,3ar,7s,9as,11ar)-1-[(2r,3s)-6-methoxy-3,6-dimethylhept-4-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol", "Ganodercochlearin C" ], "molecular_formula": "C32H52O2", "smiles": "COC(C)(C)C=C[C@H](C)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0158327", "npaid": "NPA007587" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "GYBAQGGQWHOTNZ-UHFFFAOYSA-N": { "inchikey": "GYBAQGGQWHOTNZ-UHFFFAOYSA-N", "inchikey2D": "GYBAQGGQWHOTNZ", "names": [ "4-hydroxy-3a,6,6,9a,11a-pentamethyl-1-(6-methyl-7-oxohept-5-en-2-yl)-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl formate" ], "molecular_formula": "C31H46O5", "smiles": "CC(C=O)=CCCC(C)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(OC=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0219708" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "GYCUFPUGXHRSJP-WNJUFEBWSA-N": { "inchikey": "GYCUFPUGXHRSJP-WNJUFEBWSA-N", "inchikey2D": "GYCUFPUGXHRSJP", "names": [ "(5s)-5-[(1s,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-(hydroxymethyl)oxolan-2-one" ], "molecular_formula": "C27H40O7", "smiles": "CC1(C)[C@@H](O)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)[C@@H](O)C[C@H]([C@]2(CO)CCC(=O)O2)[C@@]1(C)CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0186692" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BGKCUGPVLVNPSG-CMDGGOBGSA-N": { "inchikey": "BGKCUGPVLVNPSG-CMDGGOBGSA-N", "inchikey2D": "BGKCUGPVLVNPSG", "names": [ "β-irone" ], "molecular_formula": "C14H22O", "smiles": "CC(=O)/C=C/C1=C(C)CCC(C)C1(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0024809" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GYCUFPUGXHRSJP-UHFFFAOYSA-N": { "inchikey": "GYCUFPUGXHRSJP-UHFFFAOYSA-N", "inchikey2D": "GYCUFPUGXHRSJP", "names": [ "5-(hydroxymethyl)-5-{3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}oxolan-2-one" ], "molecular_formula": "C27H40O7", "smiles": "CC12CCC(O)C(C)(C)C1CC(O)C1=C2C(=O)CC2(C)C(C3(CO)CCC(=O)O3)CC(O)C12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0041570" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZRNXURLYNFMZRS-VWRLNJOPSA-N": { "inchikey": "ZRNXURLYNFMZRS-VWRLNJOPSA-N", "inchikey2D": "ZRNXURLYNFMZRS", "names": [ "(2r,4s,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylheptanoic acid" ], "molecular_formula": "C30H48O7", "smiles": "C[C@H](C[C@@H](O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0227398" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SDAWCNCFVWQZDP-UHFFFAOYSA-N": { "inchikey": "SDAWCNCFVWQZDP-UHFFFAOYSA-N", "inchikey2D": "SDAWCNCFVWQZDP", "names": [ "1-(7-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione" ], "molecular_formula": "C30H46O3", "smiles": "CC(=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)CO", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0041135" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "WWJFQSXVIHXIBB-UHFFFAOYSA-N": { "inchikey": "WWJFQSXVIHXIBB-UHFFFAOYSA-N", "inchikey2D": "WWJFQSXVIHXIBB", "names": [ "6-{7-[(2-carboxyacetyl)oxy]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2,3-dimethyl-4-oxoheptanoic acid" ], "molecular_formula": "C34H52O7", "smiles": "CC(CC(=O)C(C)C(C)C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(=O)CC(=O)O)C(C)(C)C1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Trametes" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0022278" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Trametes==Trametes" ] }, "FELIGGHUKPABHF-UHFFFAOYSA-N": { "inchikey": "FELIGGHUKPABHF-UHFFFAOYSA-N", "inchikey2D": "FELIGGHUKPABHF", "names": [ "6-hydroxy-6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H42O7", "smiles": "CC(=CCCC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0238515" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BCWQALCGOSFZKH-LYRREGEPSA-N": { "inchikey": "BCWQALCGOSFZKH-LYRREGEPSA-N", "inchikey2D": "BCWQALCGOSFZKH", "names": [ "(2e,4s,6r)-6-[(1r,3ar,5ar,6s,9as,11s,11ar)-11-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid", "Ganoleucoin T" ], "molecular_formula": "C30H40O9", "smiles": "C/C(=C\\[C@@H](O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)[C@](C)(CO)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0215523", "npaid": "NPA028206" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "BXIBUGHMPIBQEK-UHFFFAOYSA-N": { "inchikey": "BXIBUGHMPIBQEK-UHFFFAOYSA-N", "inchikey2D": "BXIBUGHMPIBQEK", "names": [ "2-methyl-4-oxo-6-[3,4,7-trihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-10-oxo-3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]heptanoic acid" ], "molecular_formula": "C30H44O8", "smiles": "CC(CC(=O)CC(C)C1=CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0151193" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "HTLNPDQPPWMYRJ-WZUFQYTHSA-N": { "inchikey": "HTLNPDQPPWMYRJ-WZUFQYTHSA-N", "inchikey2D": "HTLNPDQPPWMYRJ", "names": [ "(2z)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-methylhepta-2,5-dienoic acid", "Cochlearin H" ], "molecular_formula": "C16H18O5", "smiles": "CC(C)=CC/C=C(/CC(=O)c1cc(O)ccc1O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0025581", "npaid": "NPA028163" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "PXYOBXAVEVGYNT-AYWYSENESA-N": { "inchikey": "PXYOBXAVEVGYNT-AYWYSENESA-N", "inchikey2D": "PXYOBXAVEVGYNT", "names": [ "(1r,9r,12s,13s)-4-hydroxy-9,19,19-trimethyl-8,18-dioxapentacyclo[10.5.2.0¹,¹³.0²,⁷.0⁹,¹³]nonadeca-2,4,6,16-tetraene-16-carbaldehyde", "Ganocin A" ], "molecular_formula": "C21H24O4", "smiles": "CC1(C)O[C@@]23C=C(C=O)CC[C@@]24[C@@H]1CC[C@@]4(C)Oc1ccc(O)cc13", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0177623", "npaid": "NPA015149" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "BZWPDDPIFDNFIU-UHFFFAOYSA-N": { "inchikey": "BZWPDDPIFDNFIU-UHFFFAOYSA-N", "inchikey2D": "BZWPDDPIFDNFIU", "names": [ "methyl 7-hydroxy-9-oxo-1h,2h,3h-cyclopenta[b]chromene-3-carboxylate" ], "molecular_formula": "C14H12O5", "smiles": "COC(=O)C1CCc2c1oc1ccc(O)cc1c2=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0168165" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "FXMUSHRKJDUFQJ-WMQCIHAUSA-N": { "inchikey": "FXMUSHRKJDUFQJ-WMQCIHAUSA-N", "inchikey2D": "FXMUSHRKJDUFQJ", "names": [ "(+)-cochlactone A", "(1s,6s,9s)-9-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5,5-dimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-10-one" ], "molecular_formula": "C21H26O5", "smiles": "CC1(C)CCC[C@]23C[C@](CC(=O)c4cc(O)ccc4O)(CC[C@@H]12)C(=O)O3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0233785", "npaid": "NPA024292" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "LMCIRPXPVHLDCR-UHFFFAOYSA-N": { "inchikey": "LMCIRPXPVHLDCR-UHFFFAOYSA-N", "inchikey2D": "LMCIRPXPVHLDCR", "names": [ "3a,6,6,9a,11a-pentamethyl-1-(2-methyl-5-oxooxolan-2-yl)-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-11-yl acetate" ], "molecular_formula": "C29H36O8", "smiles": "CC(=O)OC1C(=O)C2=C(C(=O)CC3C(C)(C)C(=O)CCC23C)C2(C)C(=O)CC(C3(C)CCC(=O)O3)C12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0017387" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BWCNWXLKMWWVBT-UHFFFAOYSA-N": { "inchikey": "BWCNWXLKMWWVBT-UHFFFAOYSA-N", "inchikey2D": "BWCNWXLKMWWVBT", "names": [ "6-[11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H42O9", "smiles": "CC(=O)OC1C(=O)C2=C(C(=O)CC3C(C)(C)C(=O)CCC23C)C2(C)C(=O)CC(C(C)CC(=O)CC(C)C(=O)O)C12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0240849" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KAAPPNYFWFPISZ-IGKGKXGSSA-N": { "inchikey": "KAAPPNYFWFPISZ-IGKGKXGSSA-N", "inchikey2D": "KAAPPNYFWFPISZ", "names": [ "(1r,3ar,5as,7s,9as,9br,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl pentadecanoate", "Ergosta-7,22-diene-3beta-yl pentadecanoa" ], "molecular_formula": "C43H74O2", "smiles": "CCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)C1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0160649", "npaid": "NPA001754" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DSRKIBHIKLYUOK-ZDUSSCGKSA-N": { "inchikey": "DSRKIBHIKLYUOK-ZDUSSCGKSA-N", "inchikey2D": "DSRKIBHIKLYUOK", "names": [ "5-[(7s)-7-hydroxy-4-methyl-5h,6h,7h-cyclopenta[c]pyridin-1-yl]benzene-1,3-diol", "Sinensine" ], "molecular_formula": "C15H15NO3", "smiles": "Cc1cnc(-c2cc(O)cc(O)c2)c2c1CC[C@@H]2O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0226041", "npaid": "NPA019380" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "FMQZBQQCIZBLHW-OBJVBECTSA-N": { "inchikey": "FMQZBQQCIZBLHW-OBJVBECTSA-N", "inchikey2D": "FMQZBQQCIZBLHW", "names": [ "(2s,6s)-6-[(1r,3s,3ar,5ar,6s,7s,9ar,11ar)-3,7-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H46O7", "smiles": "C[C@@H](CC(=O)C[C@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@H](O)[C@](C)(CO)[C@@H]1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0160004" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AWYDNKRGSOPYQB-ZHYOCZQLSA-N": { "inchikey": "AWYDNKRGSOPYQB-ZHYOCZQLSA-N", "inchikey2D": "AWYDNKRGSOPYQB", "names": [ "α-ergostenol" ], "molecular_formula": "C28H48O", "smiles": "CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0169818" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "XXXRQJARRNNBRC-BPYMQLRLSA-N": { "inchikey": "XXXRQJARRNNBRC-BPYMQLRLSA-N", "inchikey2D": "XXXRQJARRNNBRC", "names": [ "(3as,3br,5ar,7s,9ar,9bs,11r)-7-hydroxy-3a,6,6,9a-tetramethyl-1-(6-methylhept-5-en-2-yl)-2h,3h,3bh,4h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-11-carboxylic acid", "Fornicatin C" ], "molecular_formula": "C30H48O3", "smiles": "CC(C)=CCCC(C)C1=C2[C@H](C(=O)O)C[C@H]3[C@@H](CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@]2(C)CC1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0160289", "npaid": "NPA000997" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "IVUMPSQJAYHIRL-QWJOMPCZSA-N": { "inchikey": "IVUMPSQJAYHIRL-QWJOMPCZSA-N", "inchikey2D": "IVUMPSQJAYHIRL", "names": [ "(5z)-6-[(1r,2s,3r,5r,6r,10s,13r)-10-(2-carboxyethyl)-3-hydroxy-2,6,10-trimethyl-7-oxo-11-(prop-1-en-2-yl)-14-oxatetracyclo[7.5.0.0¹,¹³.0²,⁶]tetradec-8-en-5-yl]-4-hydroxy-2-methylhept-5-enoic acid" ], "molecular_formula": "C30H42O8", "smiles": "C=C(C)C1C[C@H]2O[C@@]23C(=CC(=O)[C@]2(C)[C@@H](/C(C)=C\\C(O)CC(C)C(=O)O)C[C@@H](O)[C@]23C)[C@@]1(C)CCC(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0240272" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "SBGVGAGMQOZWRL-IKXUIRCNSA-N": { "inchikey": "SBGVGAGMQOZWRL-IKXUIRCNSA-N", "inchikey2D": "SBGVGAGMQOZWRL", "names": [ "(1r,3ar,5as,7r,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2r)-6-methyl-1-{[(2s,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}hept-5-en-2-yl]-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl acetate" ], "molecular_formula": "C37H60O7", "smiles": "CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@@]1(C)CC3", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0033170" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "QLPXRZYNNFETED-TZTJHZGXSA-N": { "inchikey": "QLPXRZYNNFETED-TZTJHZGXSA-N", "inchikey2D": "QLPXRZYNNFETED", "names": [ "(2e,6r)-6-[(1r,3s,3as,5ar,7s,9as,11s,11ar)-3,11-bis(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoderic acid AP2" ], "molecular_formula": "C34H50O8", "smiles": "CC(=O)O[C@H]1C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]2(C)[C@H](OC(C)=O)C(=O)C3=C(CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0032735", "npaid": "NPA012068" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "LKKZTONQXUTYEZ-WRTRJBSLSA-N": { "inchikey": "LKKZTONQXUTYEZ-WRTRJBSLSA-N", "inchikey2D": "LKKZTONQXUTYEZ", "names": [ "(5s,6s)-6-[(1r,3ar,4r,5ar,9as,11ar)-4-methoxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid", "Ganorbiformin F" ], "molecular_formula": "C33H50O6", "smiles": "CO[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)[C@H](CC=C(C)C(=O)O)OC(C)=O)[C@@]1(C)CC2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0240206", "npaid": "NPA008200" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "JBNSWBQCNNDILB-UHFFFAOYSA-N": { "inchikey": "JBNSWBQCNNDILB-UHFFFAOYSA-N", "inchikey2D": "JBNSWBQCNNDILB", "names": [ "6-[11-(acetyloxy)-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H42O9", "smiles": "CC(=O)OC1C(=O)C2=C(C(=O)CC3C(C)(CO)C(=O)CCC23C)C2(C)C(=O)CC(C(C)CCC=C(C)C(=O)O)C12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0180998" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "PDTQBYSKJSRZCH-YQUZSDLJSA-N": { "inchikey": "PDTQBYSKJSRZCH-YQUZSDLJSA-N", "inchikey2D": "PDTQBYSKJSRZCH", "names": [ "methyl (4r)-4-[(1r,3ar,4s,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate", "methyl lucidenate P" ], "molecular_formula": "C30H44O8", "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0162318", "npaid": "NPA011538" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DIXZQXARJMRUPX-GIWXACCHSA-N": { "inchikey": "DIXZQXARJMRUPX-GIWXACCHSA-N", "inchikey2D": "DIXZQXARJMRUPX", "names": [ "(2e,6s)-6-[(1r,3s,3ar,4r,5ar,7s,9as,11ar)-3,7-bis(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H52O7", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](O)C[C@H]2C1(C)C)[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@@H](C)CC/C=C(\\C)C(=O)O)[C@@]1(C)CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0157649" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BCZACVDBVIYNMZ-UHFFFAOYSA-N": { "inchikey": "BCZACVDBVIYNMZ-UHFFFAOYSA-N", "inchikey2D": "BCZACVDBVIYNMZ", "names": [ "5-(acetyloxy)-6-[7-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O7", "smiles": "CC(=O)OC(CC=C(C)C(=O)O)C(C)C1CC(O)C2(C)C3=CCC4C(C)(CCC(OC(C)=O)C4(C)C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0172365" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DOGNEMJACWRRLK-PDQYPHFZSA-N": { "inchikey": "DOGNEMJACWRRLK-PDQYPHFZSA-N", "inchikey2D": "DOGNEMJACWRRLK", "names": [ "(2e,6r)-6-[(1r,3s,3ar,4r,5as,7r,9as,11ar)-7-(acetyloxy)-3-hydroxy-4-methoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C33H52O6", "smiles": "CO[C@@H]1C[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](O)C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0208577" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QCVRSGNBFSDECT-VVYOZBNISA-N": { "inchikey": "QCVRSGNBFSDECT-VVYOZBNISA-N", "inchikey2D": "QCVRSGNBFSDECT", "names": [ "methyl (2r,6r)-6-[(1r,3s,3ar,5ar,6s,7s,9as,11ar)-3,7-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H48O7", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(CO)[C@@H]1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0240557" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ADSMOOAVCKVHQK-NQCCWOIUSA-N": { "inchikey": "ADSMOOAVCKVHQK-NQCCWOIUSA-N", "inchikey2D": "ADSMOOAVCKVHQK", "names": [ "(6r)-6-[(2r,3s,7r,9s,11r,14r,15r,17r)-9,17-dihydroxy-2,6,6,11,15-pentamethyl-5,12-dioxopentacyclo[8.7.0.0²,⁷.0³,¹⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-2-methyl-4-oxoheptanoic acid", "Ganosinensic acid B" ], "molecular_formula": "C30H42O7", "smiles": "CC(CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C4[C@@](O)(C[C@]12C)[C@H]1CC(=O)C(C)(C)[C@H](C[C@@H]3O)[C@@]41C)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0034925", "npaid": "NPA019754" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "AYNKXQSWVXZEJE-UHFFFAOYSA-N": { "inchikey": "AYNKXQSWVXZEJE-UHFFFAOYSA-N", "inchikey2D": "AYNKXQSWVXZEJE", "names": [ "9-methoxy-8-oxa-17-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),2,4,6,10,15-hexaen-4-ol", "Lucidimine C" ], "molecular_formula": "C16H15NO3", "smiles": "COC1Oc2ccc(O)cc2-c2ncc3c(c21)CCC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0210612", "npaid": "NPA018428" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SNZQBBATMLGADX-WPSZCIFRSA-N": { "inchikey": "SNZQBBATMLGADX-WPSZCIFRSA-N", "inchikey2D": "SNZQBBATMLGADX", "names": [ "(2z,6r)-6-[(1r,3r,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O4", "smiles": "C/C(=C/CC[C@@H](C)[C@H]1C[C@@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0227167" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UEEGPTLRKRDHLY-UHFFFAOYSA-N": { "inchikey": "UEEGPTLRKRDHLY-UHFFFAOYSA-N", "inchikey2D": "UEEGPTLRKRDHLY", "names": [ "methyl 2-methyl-4-oxo-6-{3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}heptanoate" ], "molecular_formula": "C31H48O7", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0211501" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FPSBBGUSAFEFFR-IHBVUAFPSA-N": { "inchikey": "FPSBBGUSAFEFFR-IHBVUAFPSA-N", "inchikey2D": "FPSBBGUSAFEFFR", "names": [ "(5s,6s)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid", "Ganorbiformin B" ], "molecular_formula": "C34H50O7", "smiles": "CC(=O)O[C@@H](CC=C(C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0034396", "npaid": "NPA018084" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "ZWMMEKXOLCCKLA-CXAVGXMMSA-N": { "inchikey": "ZWMMEKXOLCCKLA-CXAVGXMMSA-N", "inchikey2D": "ZWMMEKXOLCCKLA", "names": [ "(2r,6s)-6-[(1s,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O8", "smiles": "C[C@H](CC(=O)C[C@](C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0030092" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QIYPKRHGDIQKEC-JPYSHQSSSA-N": { "inchikey": "QIYPKRHGDIQKEC-JPYSHQSSSA-N", "inchikey2D": "QIYPKRHGDIQKEC", "names": [ "(2e,6r)-6-[(1r,3ar,5ar,9as,11ar)-6,6,9a-trimethyl-4,7-dioxo-1h,2h,3h,3ah,5h,5ah,8h,9h,10h,11h,11ah-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C28H40O4", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@H]21)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0020454" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DBCOZDMIVDWFEY-YLQDKSCUSA-N": { "inchikey": "DBCOZDMIVDWFEY-YLQDKSCUSA-N", "inchikey2D": "DBCOZDMIVDWFEY", "names": [ "(1r,3r,5r,10s,14r,15r,17r,18s)-17-hydroxy-6,6,10,14,18-pentamethyl-15-{1-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]prop-1-en-2-yl}-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-ene-7,13-dione", "Gibbosicolid C" ], "molecular_formula": "C30H40O6", "smiles": "CC(=C[C@@H]1C[C@H](C)C(=O)O1)[C@H]1C[C@@H](O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0024915", "npaid": "NPA025432" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "PBSIJFFARBGYMG-ZUHXXQQVSA-N": { "inchikey": "PBSIJFFARBGYMG-ZUHXXQQVSA-N", "inchikey2D": "PBSIJFFARBGYMG", "names": [ "(2r,5e,9z)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-11-hydroxy-6,10-dimethylundeca-5,9-dienoic acid", "Dayaolingzhiol H" ], "molecular_formula": "C21H28O6", "smiles": "C/C(=C/CC/C(C)=C/CC[C@H](CC(=O)c1cc(O)ccc1O)C(=O)O)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0036111", "npaid": "NPA027128" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QRWTVFKEWNICIM-PWSUYJOCSA-N": { "inchikey": "QRWTVFKEWNICIM-PWSUYJOCSA-N", "inchikey2D": "QRWTVFKEWNICIM", "names": [ "(-)-chizhine A", "(3r,5r)-3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(2-methylprop-1-en-1-yl)oxolan-2-one" ], "molecular_formula": "C16H18O5", "smiles": "CC(C)=C[C@H]1C[C@H](CC(=O)c2cc(O)ccc2O)C(=O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0238209", "npaid": "NPA017399" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GWXYUYTZJNWGAD-GOUAKDDGSA-N": { "inchikey": "GWXYUYTZJNWGAD-GOUAKDDGSA-N", "inchikey2D": "GWXYUYTZJNWGAD", "names": [ "Resinacein P", "methyl (6s)-6-[(1s,3ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O8", "smiles": "COC(=O)C(C)CC(=O)C[C@](C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0027454", "npaid": "NPA023690" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "MHGVHCDAKLKLEF-GFCCVEGCSA-N": { "inchikey": "MHGVHCDAKLKLEF-GFCCVEGCSA-N", "inchikey2D": "MHGVHCDAKLKLEF", "names": [ "(−)-petchioic B", "[(1s)-3-ethyl-1-(methoxycarbonyl)cyclohex-2-en-1-yl]acetic acid" ], "molecular_formula": "C12H18O4", "smiles": "CCC1=C[C@](CC(=O)O)(C(=O)OC)CCC1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0236764", "npaid": "NPA005674" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "RJBCIJBIKBHZMX-UHFFFAOYSA-N": { "inchikey": "RJBCIJBIKBHZMX-UHFFFAOYSA-N", "inchikey2D": "RJBCIJBIKBHZMX", "names": [ "3,4,5-trihydroxyoxan-2-yl 2-[7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylhepta-4,6-dienoate" ], "molecular_formula": "C38H58O8", "smiles": "C=C(C)C(C)=CCC(C(=O)OC1OCC(O)C(O)C1O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0236593" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "ASVBQOYWONHOKP-XQJOPQQLSA-N": { "inchikey": "ASVBQOYWONHOKP-XQJOPQQLSA-N", "inchikey2D": "ASVBQOYWONHOKP", "names": [ "(2e,6r)-6-[(1r,3ar,4s,5ar,6r,9as,11r,11ar)-4,11-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoleuconin E" ], "molecular_formula": "C30H42O8", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0201763", "npaid": "NPA006955" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "DOGNEMJACWRRLK-UHFFFAOYSA-N": { "inchikey": "DOGNEMJACWRRLK-UHFFFAOYSA-N", "inchikey2D": "DOGNEMJACWRRLK", "names": [ "6-[7-(acetyloxy)-3-hydroxy-4-methoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C33H52O6", "smiles": "COC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)C(O)CC(C(C)CCC=C(C)C(=O)O)C1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0002599" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZCMJUAGNOJTZBJ-MJWPTZKTSA-N": { "inchikey": "ZCMJUAGNOJTZBJ-MJWPTZKTSA-N", "inchikey2D": "ZCMJUAGNOJTZBJ", "names": [ "(2r)-2-[(1r,2r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylhept-6-enoic acid", "Tsugaric acid B" ], "molecular_formula": "C33H52O5", "smiles": "C=C(C)C(C)CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0141225", "npaid": "NPA013871" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "BTYTWXWAFWKSTA-YBFNEQRTSA-N": { "inchikey": "BTYTWXWAFWKSTA-YBFNEQRTSA-N", "inchikey2D": "BTYTWXWAFWKSTA", "names": [ "(6r)-6-[(1r,3ar,5ar,7s,9as,11s,11ar)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O8", "smiles": "CC(CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0167153" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PIOYBULRRJNPSG-DJKKODMXSA-N": { "inchikey": "PIOYBULRRJNPSG-DJKKODMXSA-N", "inchikey2D": "PIOYBULRRJNPSG", "names": [ "(2e)-6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enal" ], "molecular_formula": "C30H46O3", "smiles": "C/C(C=O)=C\\CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0227031" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OFMXGFHWLZPCFL-SVRPQWSVSA-N": { "inchikey": "OFMXGFHWLZPCFL-SVRPQWSVSA-N", "inchikey2D": "OFMXGFHWLZPCFL", "names": [ "(-)-friedelin" ], "molecular_formula": "C30H50O", "smiles": "C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Phellinus", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0041645" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Phellinus==Phellinus", "INCLUDE:Polyporus==Polyporus" ] }, "GFKYVWHGNWCEQF-YPEMOSAMSA-N": { "inchikey": "GFKYVWHGNWCEQF-YPEMOSAMSA-N", "inchikey2D": "GFKYVWHGNWCEQF", "names": [ "(2r,5z)-6-[(1s,3s,3ar,5ar,9ar,11as)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O7", "smiles": "C/C(=C/C(=O)C[C@@H](C)C(=O)O)[C@@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0238769" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "BEZWXQQEEVUVPY-HSANZZDQSA-N": { "inchikey": "BEZWXQQEEVUVPY-HSANZZDQSA-N", "inchikey2D": "BEZWXQQEEVUVPY", "names": [ "methyl (2r,6s)-6-[(1s,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O8", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@](C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0169777" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KZVNZIIMDVYSNR-YSALMUDYSA-N": { "inchikey": "KZVNZIIMDVYSNR-YSALMUDYSA-N", "inchikey2D": "KZVNZIIMDVYSNR", "names": [ "methyl (4r)-4-[(1r,3s,3ar,4s,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate", "methyl lucidenate Q" ], "molecular_formula": "C28H42O6", "smiles": "COC(=O)CC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0172132", "npaid": "NPA007144" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OCLVBEOPEKEKNM-UHFFFAOYSA-N": { "inchikey": "OCLVBEOPEKEKNM-UHFFFAOYSA-N", "inchikey2D": "OCLVBEOPEKEKNM", "names": [ "5-(acetyloxy)-6-[3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C36H52O8", "smiles": "CC(=O)OC(CC=C(C)C(=O)O)C(C)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(CCC(OC(C)=O)C4(C)C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0239095" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QZIICLRJPWBMPH-KRVPUEPLSA-N": { "inchikey": "QZIICLRJPWBMPH-KRVPUEPLSA-N", "inchikey2D": "QZIICLRJPWBMPH", "names": [ "6-[(1r,3r,5r,7s,10s,13s,14r,18r)-7,13-dihydroxy-6,6,10,14,18-pentamethyl-17-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid", "Applanoxidic acid H" ], "molecular_formula": "C30H42O8", "smiles": "CC(CC(=O)CC(C)(O)C1=CC(=O)[C@]2(C)[C@]1(C)[C@@H](O)C=C1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0036936", "npaid": "NPA003588" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "NZZFFUIAJHXCFY-DVVUODLYSA-N": { "inchikey": "NZZFFUIAJHXCFY-DVVUODLYSA-N", "inchikey2D": "NZZFFUIAJHXCFY", "names": [ "(-)-applanatumol Z5", "(1r,6r,12r)-12-hydroxy-8-oxatricyclo[4.3.3.0¹,⁶]dodec-4-ene-3,9-dione" ], "molecular_formula": "C11H12O4", "smiles": "O=C1C=C[C@]23COC(=O)[C@]2(CC[C@H]3O)C1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0233489", "npaid": "NPA026066" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "YMOPKZYYURKDKI-SRIMDAHUSA-N": { "inchikey": "YMOPKZYYURKDKI-SRIMDAHUSA-N", "inchikey2D": "YMOPKZYYURKDKI", "names": [ "(24E)-9a,11a-epoxy-3b-hydroxylanosta-7,24-dien-26-al", "(2e,6r)-6-[(1s,2s,5s,11r,14r,15r,17r)-5-hydroxy-2,6,6,11,15-pentamethyl-18-oxapentacyclo[8.8.0.0¹,¹⁷.0²,⁷.0¹¹,¹⁵]octadec-9-en-14-yl]-2-methylhept-2-enal" ], "molecular_formula": "C30H46O3", "smiles": "C/C(C=O)=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)[C@]34O[C@@H]4C[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0239615", "npaid": "NPA003472" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CJKHTLRUBMTPPH-DMEFTLKTSA-N": { "inchikey": "CJKHTLRUBMTPPH-DMEFTLKTSA-N", "inchikey2D": "CJKHTLRUBMTPPH", "names": [ "Spiroapplanatumine P", "methyl (2r,2'r,5's)-5-hydroxy-2'-[(2s)-1-hydroxypropan-2-yl]-3-oxospiro[1-benzofuran-2,1'-cyclopentane]-5'-carboxylate" ], "molecular_formula": "C17H20O6", "smiles": "COC(=O)[C@H]1CC[C@H]([C@H](C)CO)[C@@]12Oc1ccc(O)cc1C2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0021566", "npaid": "NPA022129" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "FUXJBZDTQKOVCK-PUUDOWDZSA-N": { "inchikey": "FUXJBZDTQKOVCK-PUUDOWDZSA-N", "inchikey2D": "FUXJBZDTQKOVCK", "names": [ "methyl (2r,6r)-6-[(1r,3ar,5ar,9as,11ar)-6,6,9a,11a-tetramethyl-3,4,7,10-tetraoxo-1h,2h,3ah,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C30H40O7", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0238470" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ALBRPHJUQRKZLQ-VTULGHGVSA-N": { "inchikey": "ALBRPHJUQRKZLQ-VTULGHGVSA-N", "inchikey2D": "ALBRPHJUQRKZLQ", "names": [ "(2e,6r)-6-[(1r,4r,5as,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enal" ], "molecular_formula": "C30H46O3", "smiles": "C/C(C=O)=C\\CC[C@@H](C)[C@H]1CCC2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0161538" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KFAAQZQGMAHMCD-YAQRAPGNSA-N": { "inchikey": "KFAAQZQGMAHMCD-YAQRAPGNSA-N", "inchikey2D": "KFAAQZQGMAHMCD", "names": [ "(2s,6r)-6-[(1r,3r,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganohainanic acid C" ], "molecular_formula": "C30H44O6", "smiles": "C[C@@H](CC(=O)C[C@@H](C)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0237567", "npaid": "NPA005999" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "ALCIXJMOMQJJQK-XWIMPISDSA-N": { "inchikey": "ALCIXJMOMQJJQK-XWIMPISDSA-N", "inchikey2D": "ALCIXJMOMQJJQK", "names": [ "(2z,5e,9s)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-9-hydroxy-6,10-dimethylundeca-2,5,10-trienoic acid", "Cochlearol M" ], "molecular_formula": "C21H26O6", "smiles": "C=C(C)[C@@H](O)CC/C(C)=C/C/C=C(/CC(=O)c1cc(O)ccc1O)C(=O)O", 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"(+)-applanatumol N", "(1r,2r)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-hydroxy-3-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid" ], "molecular_formula": "C16H18O7", "smiles": "O=C(C[C@]1(C(=O)O)CCC=C(CO)[C@H]1O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0044087", "npaid": "NPA000766" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "ZALUTFUTOCLYRF-UHFFFAOYSA-N": { "inchikey": "ZALUTFUTOCLYRF-UHFFFAOYSA-N", "inchikey2D": "ZALUTFUTOCLYRF", "names": [ "5-hydroxy-3'-(methoxycarbonyl)-3-oxospiro[1-benzofuran-2,1'-cycloheptan]-3'-ene-7'-carboxylic acid" ], "molecular_formula": "C17H16O7", "smiles": "COC(=O)C1=CCCC(C(=O)O)C2(C1)Oc1ccc(O)cc1C2=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0255238" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "PQDHZHNZOGGMSA-UHFFFAOYSA-N": { "inchikey": "PQDHZHNZOGGMSA-UHFFFAOYSA-N", "inchikey2D": "PQDHZHNZOGGMSA", "names": [ "methyl 4-{3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoate" ], "molecular_formula": "C28H44O6", "smiles": "COC(=O)CCC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0061432" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KIJCKCLHIXLFEW-JJWHRAAESA-N": { "inchikey": "KIJCKCLHIXLFEW-JJWHRAAESA-N", "inchikey2D": "KIJCKCLHIXLFEW", "names": [ "(6r)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganoderic acid J" ], "molecular_formula": "C30H42O7", "smiles": "CC(CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0186418", "npaid": "NPA032667" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LDHARSAUIVWVIT-LLVKDONJSA-N": { "inchikey": "LDHARSAUIVWVIT-LLVKDONJSA-N", "inchikey2D": "LDHARSAUIVWVIT", "names": [ "(+)-chizhine D", "(2r)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-methylhept-5-enoic acid" ], "molecular_formula": "C16H20O5", "smiles": "CC(C)=CCC[C@H](CC(=O)c1cc(O)ccc1O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0239922", "npaid": "NPA015347" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "ASDONKGQZJLQHS-IOVHTZOBSA-N": { "inchikey": "ASDONKGQZJLQHS-IOVHTZOBSA-N", "inchikey2D": "ASDONKGQZJLQHS", "names": [ "(2r,8e,12s)-12,18-dihydroxy-9,13,13-trimethyl-3,14-dioxatricyclo[13.3.1.1²,⁵]icosa-1(19),5(20),8,15,17-pentaen-4-one", "Australeol A" ], "molecular_formula": "C21H26O5", "smiles": "C/C1=C\\CCC2=C[C@@H](OC2=O)c2cc(ccc2O)OC(C)(C)[C@@H](O)CC1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0067035", "npaid": "NPA026947" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "NQOCOYQAQQQJKJ-FKFTWZIOSA-N": { "inchikey": "NQOCOYQAQQQJKJ-FKFTWZIOSA-N", "inchikey2D": "NQOCOYQAQQQJKJ", "names": [ "(5s,6s)-6-[(1r,3ar,4r,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid", "Ganorbiformin E" ], "molecular_formula": "C32H48O6", "smiles": "CC(=O)O[C@@H](CC=C(C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0041333", "npaid": "NPA015169" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "NBPAZLNDCXUMSM-UHFFFAOYSA-N": { "inchikey": "NBPAZLNDCXUMSM-UHFFFAOYSA-N", "inchikey2D": "NBPAZLNDCXUMSM", "names": [ "4-ethoxy-3a,6,6,9a,11a-pentamethyl-1-(5,6,7-trihydroxy-6-methylheptan-2-yl)-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C32H54O5", "smiles": "CCOC1CC2C(C)(C)C(=O)CCC2(C)C2=C1C1(C)CCC(C(C)CCC(O)C(C)(O)CO)C1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0248890" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YMBFCQPIMVLNIU-SOUVJXGZSA-N": { "inchikey": "YMBFCQPIMVLNIU-SOUVJXGZSA-N", "inchikey2D": "YMBFCQPIMVLNIU", "names": [ "(-)-trans-α-bergamotene" ], "molecular_formula": "C15H24", "smiles": "CC(C)=CCC[C@]1(C)[C@H]2CC=C(C)[C@@H]1C2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0239937" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "IAALRVSZQPJMNE-AJNGGQMLSA-N": { "inchikey": "IAALRVSZQPJMNE-AJNGGQMLSA-N", "inchikey2D": "IAALRVSZQPJMNE", "names": [ "(2s)-2-{[(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-4-(c-hydroxycarbonimidoyl)butylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-3-carboxy-1-hydroxypropylidene]amino}-4-methylpentanoic acid", "Gln-Leu-Asp-Leu" ], "molecular_formula": "C21H37N5O8", "smiles": "CC(C)C[C@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N)CCC(=N)O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0249057", "npaid": "NPA026294" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KWZNLJRIABJHPG-UHFFFAOYSA-N": { "inchikey": "KWZNLJRIABJHPG-UHFFFAOYSA-N", "inchikey2D": "KWZNLJRIABJHPG", "names": [ "1-[7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-2,7-dione" ], "molecular_formula": "C30H44O4", "smiles": "CC(CCC=C(CO)CO)C1C(=O)CC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0181278" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "JTBDTJVGIGEPFI-CSPQZWTCSA-N": { "inchikey": "JTBDTJVGIGEPFI-CSPQZWTCSA-N", "inchikey2D": "JTBDTJVGIGEPFI", "names": [ "(2e,6r)-6-[(3s,3ar,4r)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O7", "smiles": "C/C(=C\\C(O)C[C@@H](C)C1C[C@H](O)[C@@]2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1C[C@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0251550" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LSZVUGCMASOQBS-AVJGDSSSSA-N": { "inchikey": "LSZVUGCMASOQBS-AVJGDSSSSA-N", "inchikey2D": "LSZVUGCMASOQBS", "names": [ "(-)-applanatumol Q", "methyl (2r,5r)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(1-hydroxypropan-2-yl)oxolane-2-carboxylate" ], "molecular_formula": "C17H22O7", "smiles": "COC(=O)[C@]1(CC(=O)c2cc(O)ccc2O)CC[C@H](C(C)CO)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0063674", "npaid": "NPA019397" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "SVURIXNDRWRAFU-OGMFBOKVSA-N": { "inchikey": "SVURIXNDRWRAFU-OGMFBOKVSA-N", "inchikey2D": "SVURIXNDRWRAFU", "names": [ "(+)-Cedrol", "cedrol" ], "molecular_formula": "C15H26O", "smiles": "C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@]21CC[C@@]3(C)O", "species": [ "Ganoderma lucidum", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "KNApSAcK", "LOTUS" ], "external_ids": { "lotus_id": "LTS0251071", "knapsack_cid": "C00003112" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BWCNWXLKMWWVBT-AIMUVTGPSA-N": { "inchikey": "BWCNWXLKMWWVBT-AIMUVTGPSA-N", "inchikey2D": "BWCNWXLKMWWVBT", "names": [ "(6r)-6-[(1r,3ar,5ar,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganoderic acid F" ], "molecular_formula": "C32H42O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@H](C)CC(=O)CC(C)C(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0251509", "npaid": "NPA029049" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OWPIQJAXQUDFDL-NSODJVPESA-N": { "inchikey": "OWPIQJAXQUDFDL-NSODJVPESA-N", "inchikey2D": "OWPIQJAXQUDFDL", "names": [ "2-[(3r,4ar,9ar)-4a,7-dihydroxy-4,9-dioxo-1,2,3,9a-tetrahydroxanthen-3-yl]prop-2-enal", "Ganoderma aldehyde" ], "molecular_formula": "C16H14O6", "smiles": "C=C(C=O)[C@H]1CC[C@@H]2C(=O)c3cc(O)ccc3O[C@@]2(O)C1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0246931", "npaid": "NPA016543" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "KGDKFJWOCHUNLY-ZVEHTUBCSA-N": { "inchikey": "KGDKFJWOCHUNLY-ZVEHTUBCSA-N", "inchikey2D": "KGDKFJWOCHUNLY", "names": [ "(17S,23S)-17,23-epoxy-3β,7β-dihydroxy-11,15-dioxo-5α-lanosta-8-en-26,23-olide", "(1s,3'r,3as,4s,4''s,5's,5ar,7s,9as,11as)-4,7-dihydroxy-3',3a,4'',6,6,9a,11a-heptamethyl-2,4,5,5a,7,8,9,11-octahydrodispiro[cyclopenta[a]phenanthrene-1,2':5',2''-bis(oxolane)]-3,5'',10-trione" ], "molecular_formula": "C30H42O7", "smiles": "C[C@H]1C[C@]2(C[C@@H](C)[C@]3(CC(=O)[C@@]4(C)C5=C(C(=O)C[C@@]43C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@@H]5O)O2)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0164319", "npaid": "NPA027922" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "TVLLLIMEZXBDHC-JCBWHQEISA-N": { "inchikey": "TVLLLIMEZXBDHC-JCBWHQEISA-N", "inchikey2D": "TVLLLIMEZXBDHC", "names": [ "(1r,3ar,5as,7s,9ar,11as)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2s,5s,6s)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one" ], "molecular_formula": "C30H50O5", "smiles": "C[C@@H](CC[C@H](O)[C@@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0044819" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PHYFQTYBJUILEZ-IUPFWZBJSA-N": { "inchikey": "PHYFQTYBJUILEZ-IUPFWZBJSA-N", "inchikey2D": "PHYFQTYBJUILEZ", "names": [ "triolein" ], "molecular_formula": "C57H104O6", "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\\CCCCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCCCC", "species": [ "[query-hint] Ganoderma", "[query-hint] Grifola" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0254684" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Grifola==Grifola" ] }, "SDURKWBYYPXCOI-MVJZUZMTSA-N": { "inchikey": "SDURKWBYYPXCOI-MVJZUZMTSA-N", "inchikey2D": "SDURKWBYYPXCOI", "names": [ "(2s,5e)-6-[(1s,3s,5r,10s,14r,17r,18s)-17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-2-methyl-4-oxohept-5-enoic acid", "Applanoic acid C" ], "molecular_formula": "C30H38O7", "smiles": "C/C(=C\\C(=O)C[C@H](C)C(=O)O)C1=C[C@@H](O)[C@@]2(C)[C@]34O[C@H]3C[C@H]3C(C)(C)C(=O)CC[C@]3(C)C4=CC(=O)[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0064506", "npaid": "NPA025888" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "IHHXBJSQGKNHGK-DHZHZOJOSA-N": { "inchikey": "IHHXBJSQGKNHGK-DHZHZOJOSA-N", "inchikey2D": "IHHXBJSQGKNHGK", "names": [ "1-(2,5-dihydroxyphenyl)-2-[(1e)-3-methylcyclohex-2-en-1-ylidene]ethanone", "Lucidumin C" ], "molecular_formula": "C15H16O3", "smiles": "CC1=C/C(=C/C(=O)c2cc(O)ccc2O)CCC1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0043608", "npaid": "NPA026930" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ICIQEEKXLSGEHH-FSKVMFBMSA-N": { "inchikey": "ICIQEEKXLSGEHH-FSKVMFBMSA-N", "inchikey2D": "ICIQEEKXLSGEHH", "names": [ "methyl (2r,6s)-6-[(1r,3ar,5ar,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C33H44O9", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0170134" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FKJPUWHTFMQAOG-KXSJZLMNSA-N": { "inchikey": "FKJPUWHTFMQAOG-KXSJZLMNSA-N", "inchikey2D": "FKJPUWHTFMQAOG", "names": [ "(2e,4s,6r)-6-[(1r,3ar,5ar,7s,9as,11s,11ar)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid", "Ganoderic acid θ" ], "molecular_formula": "C30H42O8", "smiles": "C/C(=C\\[C@@H](O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0045981", "npaid": "NPA005652" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SZCAPUAJXOKPIR-AHHFHQBHSA-N": { "inchikey": "SZCAPUAJXOKPIR-AHHFHQBHSA-N", "inchikey2D": "SZCAPUAJXOKPIR", "names": [ "Ganoderiol B", "ganoderiol b" ], "molecular_formula": "C30H46O4", "smiles": "C[C@H](CCC=C(CO)CO)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0200525", "npaid": "NPA006753" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BHPUPTSWPKUFML-UHFFFAOYSA-N": { "inchikey": "BHPUPTSWPKUFML-UHFFFAOYSA-N", "inchikey2D": "BHPUPTSWPKUFML", "names": [ "4-hydroxy-6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H46O4", "smiles": "CC(=CC(O)CC(C)C1CCC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0244743" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YCXAYNFSIWJPMY-ZOTZIROCSA-N": { "inchikey": "YCXAYNFSIWJPMY-ZOTZIROCSA-N", "inchikey2D": "YCXAYNFSIWJPMY", "names": [ "methyl (2r,6r)-6-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-6,6,9a,11a-tetramethyl-3,7,10-trioxo-1h,2h,3ah,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C30H42O7", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0200036" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YCXAYNFSIWJPMY-UHFFFAOYSA-N": { "inchikey": "YCXAYNFSIWJPMY-UHFFFAOYSA-N", "inchikey2D": "YCXAYNFSIWJPMY", "names": [ "methyl 6-{4-hydroxy-6,6,9a,11a-tetramethyl-3,7,10-trioxo-1h,2h,3ah,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C30H42O7", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC(=O)C2C3=C(C(=O)CC21C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0193633" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MMVSNLKSAHIETF-UHFFFAOYSA-N": { "inchikey": "MMVSNLKSAHIETF-UHFFFAOYSA-N", "inchikey2D": "MMVSNLKSAHIETF", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-3-hydroxy-9a,11a-dimethyl-1h,2h,3h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C28H40O2", "smiles": "CC(C)C(C)C=CC(C)C1CC(O)C2=C3C=CC4=CC(=O)CCC4(C)C3CCC21C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0204436" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VOSMLEIXNQUDNH-LALPHHSUSA-N": { "inchikey": "VOSMLEIXNQUDNH-LALPHHSUSA-N", "inchikey2D": "VOSMLEIXNQUDNH", "names": [ "(+)-applanatumol W", "methyl (1r,2r,3s)-2-(2,5-dihydroxybenzoyl)-3-(3-oxoprop-1-en-2-yl)cyclopentane-1-carboxylate" ], "molecular_formula": "C17H18O6", "smiles": "C=C(C=O)[C@H]1CC[C@@H](C(=O)OC)[C@@H]1C(=O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0234627", "npaid": "NPA017544" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "CXHVJBDAJKBRIR-CAOOACKPSA-N": { "inchikey": "CXHVJBDAJKBRIR-CAOOACKPSA-N", "inchikey2D": "CXHVJBDAJKBRIR", "names": [ "(±)-cochlearin E", "2-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-2-(hydroxymethyl)chromen-6-ol" ], "molecular_formula": "C21H28O3", "smiles": "CC(C)=CCC/C(C)=C/CCC1(CO)C=Cc2cc(O)ccc2O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0030567", "npaid": "NPA028160" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "BZZZJJOXKWAEPR-KCMISNAWSA-N": { "inchikey": "BZZZJJOXKWAEPR-KCMISNAWSA-N", "inchikey2D": "BZZZJJOXKWAEPR", "names": [ "(+)-cochlearoid N", "ethyl (1r,2s,5s)-16-[(2z)-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-4-hydroxybut-2-en-1-yl]-10,14-dihydroxy-2-(prop-1-en-2-yl)-6,18-dioxapentacyclo[9.7.1.1¹,⁵.0⁷,¹⁹.0¹²,¹⁷]icosa-7(19),8,10,12,14,16-hexaene-5-carboxylate" ], "molecular_formula": "C39H48O7", "smiles": "C=C(C)[C@@H]1CC[C@@]2(C(=O)OCC)C[C@@]13Oc1c(C/C=C(\\CO)CC/C=C(\\C)CCC=C(C)C)cc(O)cc1-c1c(O)ccc(c13)O2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0037613", "npaid": "NPA026099" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "LCFUTECDUKUAFQ-CJDHDTBTSA-N": { "inchikey": "LCFUTECDUKUAFQ-CJDHDTBTSA-N", "inchikey2D": "LCFUTECDUKUAFQ", "names": [ "(4r)-4-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10,11-pentaoxo-1h,2h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H34O7", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C(=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0036920" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HNNFEKOVKSPWLT-UHFFFAOYSA-N": { "inchikey": "HNNFEKOVKSPWLT-UHFFFAOYSA-N", "inchikey2D": "HNNFEKOVKSPWLT", "names": [ "Ganodone", "ganodone" ], "molecular_formula": "C18H16O6", "smiles": "CC(=O)c1ccc(OC2Cc3c(ccc(C(C)=O)c3O)O2)cc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0249511", "npaid": "NPA008160" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "ZTKZZRIVAYGFSF-YQDYMHCHSA-N": { "inchikey": "ZTKZZRIVAYGFSF-YQDYMHCHSA-N", "inchikey2D": "ZTKZZRIVAYGFSF", "names": [ "(2z,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O4", "smiles": "C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0230080" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XLSSNOGPDBTMBM-AVMHZLENSA-N": { "inchikey": "XLSSNOGPDBTMBM-AVMHZLENSA-N", "inchikey2D": "XLSSNOGPDBTMBM", "names": [ "(1r,3ar,5ar,7s,9as,11ar)-1-[(2r,5s)-5,6-dihydroxy-6-methylheptan-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl acetate", "3-acetyl-lucidumol B" ], "molecular_formula": "C32H52O4", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@H](O)C(C)(C)O)CC[C@@]4(C)C3=CC[C@H]2C1(C)C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0189490", "npaid": "NPA026003" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "HHCQRNABFNZPFW-UHFFFAOYSA-N": { "inchikey": "HHCQRNABFNZPFW-UHFFFAOYSA-N", "inchikey2D": "HHCQRNABFNZPFW", "names": [ "6-hydroxy-2-methyl-4-oxo-6-{4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}heptanoic acid" ], "molecular_formula": "C30H44O9", "smiles": "CC(CC(=O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0050691" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UEDNIAMTXNJXSQ-ZZJJYMFESA-N": { "inchikey": "UEDNIAMTXNJXSQ-ZZJJYMFESA-N", "inchikey2D": "UEDNIAMTXNJXSQ", "names": [ "methyl (2r,6s)-6-[(1s,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H42O8", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@](C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0033398" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RUVINXPYWBROJD-ONEGZZNKSA-N": { "inchikey": "RUVINXPYWBROJD-ONEGZZNKSA-N", "inchikey2D": "RUVINXPYWBROJD", "names": [ "anethole" ], "molecular_formula": "C10H12O", "smiles": "C/C=C/c1ccc(OC)cc1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0033696" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SAZFHNNKAYSDKP-MTDMGVMMSA-N": { "inchikey": "SAZFHNNKAYSDKP-MTDMGVMMSA-N", "inchikey2D": "SAZFHNNKAYSDKP", "names": [ "(2e,6r)-6-[(1r,3ar,5ar,9as,10r,11ar)-10-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "11α-hydroxy-3,7-dioxo-5α-lanosta-8,24(E)-dien-26-oic acid" ], "molecular_formula": "C30H44O5", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C([C@H](O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0056759", "npaid": "NPA004659" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WSYMQIDZRGYDDF-BHGOKWSMSA-N": { "inchikey": "WSYMQIDZRGYDDF-BHGOKWSMSA-N", "inchikey2D": "WSYMQIDZRGYDDF", "names": [ "(2e,5s,6r)-6-[(1s,3as,4r,5as,7r,9ar,11as)-4,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C36H54O8", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3OC(C)=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0160189" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CJPRYGHXZADIKU-UHFFFAOYSA-N": { "inchikey": "CJPRYGHXZADIKU-UHFFFAOYSA-N", "inchikey2D": "CJPRYGHXZADIKU", "names": [ "5-(acetyloxy)-6-[3,7-bis(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C36H54O9", "smiles": "CC(=O)OC(CC=C(C)C(=O)O)C(C)C1CC(OC(C)=O)C2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0195335" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CLSQDKKKSJPJCC-UHFFFAOYSA-N": { "inchikey": "CLSQDKKKSJPJCC-UHFFFAOYSA-N", "inchikey2D": "CLSQDKKKSJPJCC", "names": [ "methyl 6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O7", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0255178" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DIXZQXARJMRUPX-UHFFFAOYSA-N": { "inchikey": "DIXZQXARJMRUPX-UHFFFAOYSA-N", "inchikey2D": "DIXZQXARJMRUPX", "names": [ "6-[3,7-bis(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H52O7", "smiles": "CC(=O)OC1CCC2(C)C3=C(C(O)CC2C1(C)C)C1(C)C(OC(C)=O)CC(C(C)CCC=C(C)C(=O)O)C1(C)CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0181190" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DIEUZIPSDUGWLD-KOXNGNSZSA-N": { "inchikey": "DIEUZIPSDUGWLD-KOXNGNSZSA-N", "inchikey2D": "DIEUZIPSDUGWLD", "names": [ "(2r,5z)-6-[(3s,3ar,4s,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H44O7", "smiles": "C/C(=C/C(=O)C[C@@H](C)C(=O)O)C1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0186233" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MOGCKMACSLYDKK-SVZODXANSA-N": { "inchikey": "MOGCKMACSLYDKK-SVZODXANSA-N", "inchikey2D": "MOGCKMACSLYDKK", "names": [ "ethyl (2r,6r)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C32H46O7", "smiles": "CCOC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0065100" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MGEGUOWYQQSKHH-GBOCAVNRSA-N": { "inchikey": "MGEGUOWYQQSKHH-GBOCAVNRSA-N", "inchikey2D": "MGEGUOWYQQSKHH", "names": [ "(9r,13r,14r,16r,17r)-14-hydroxy-8,8,13,17-tetramethyl-16-[(1s)-1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-6-one", "Colossolactone D" ], "molecular_formula": "C30H40O5", "smiles": "CC1=CCC([C@@H](C)[C@H]2C[C@@H](O)[C@@]3(C)C4=C(C=C5C=CC(=O)OC(C)(C)[C@@H]5CC4)CC[C@]23C)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0251204", "npaid": "NPA011817" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "INRKRFBQMVZPSW-LCYJQVNTSA-N": { "inchikey": "INRKRFBQMVZPSW-LCYJQVNTSA-N", "inchikey2D": "INRKRFBQMVZPSW", "names": [ "(2s,6r)-6-[(1s,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O8", "smiles": "C[C@@H](CC(=O)C[C@@](C)(O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0250391" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "FFMHRFMHJKVBHE-UHFFFAOYSA-N": { "inchikey": "FFMHRFMHJKVBHE-UHFFFAOYSA-N", "inchikey2D": "FFMHRFMHJKVBHE", "names": [ "4-[11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxypentanoic acid" ], "molecular_formula": "C29H42O9", "smiles": "CC(=O)OC1C(=O)C2=C(C(O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)(O)CCC(=O)O)C12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0169039" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GYRZOSZQWPIJBT-IXLZPATDSA-N": { "inchikey": "GYRZOSZQWPIJBT-IXLZPATDSA-N", "inchikey2D": "GYRZOSZQWPIJBT", "names": [ "(5e)-6-[(1s,3as,4r,5as,9ar,11as)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-5-enoic acid", "7β,23ξ-dihydroxy-3,11,15-trioxolanosta-8,20E(22)-dien-26-oic acid" ], "molecular_formula": "C30H42O7", "smiles": "C/C(=C\\C(O)CC(C)C(=O)O)[C@@H]1CC(=O)[C@]2(C)C3=C(C(=O)C[C@@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0042754", "npaid": "NPA011031" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "SDAWCNCFVWQZDP-GOUGDUPLSA-N": { "inchikey": "SDAWCNCFVWQZDP-GOUGDUPLSA-N", "inchikey2D": "SDAWCNCFVWQZDP", "names": [ "Ganoderone A", "ganoderone a" ], "molecular_formula": "C30H46O3", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0196126", "npaid": "NPA019275" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "AAJIHHYEPHRIET-UHFFFAOYSA-N": { "inchikey": "AAJIHHYEPHRIET-UHFFFAOYSA-N", "inchikey2D": "AAJIHHYEPHRIET", "names": [ "1-(5,6-dihydroxy-6-methylheptan-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H48O3", "smiles": "CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0034319" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WVYAVOPFSOYOIJ-KWLYCBPTSA-N": { "inchikey": "WVYAVOPFSOYOIJ-KWLYCBPTSA-N", "inchikey2D": "WVYAVOPFSOYOIJ", "names": [ "3beta,7beta,20,23xi-Tetrahydroxy-11,15-D", "6-[(1s,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4,6-dihydroxy-2-methylheptanoic acid" ], "molecular_formula": "C30H46O8", "smiles": "CC(CC(O)CC(C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0036293", "npaid": "NPA019660" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "VUCVZGYKEXVQJI-MYIWWSBLSA-N": { "inchikey": "VUCVZGYKEXVQJI-MYIWWSBLSA-N", "inchikey2D": "VUCVZGYKEXVQJI", "names": [ "methyl (2r,5z)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoate" ], "molecular_formula": "C31H42O7", "smiles": "COC(=O)[C@H](C)CC(=O)/C=C(/C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0050747" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "RDGKBODNFUOHRR-UHFFFAOYSA-N": { "inchikey": "RDGKBODNFUOHRR-UHFFFAOYSA-N", "inchikey2D": "RDGKBODNFUOHRR", "names": [ "4-hydroxy-2-methyl-6-{3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}hept-2-enoic acid" ], "molecular_formula": "C30H46O7", "smiles": "CC(=CC(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0258116" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "PUNXNTSNSVCCKV-QTBNWNMBSA-N": { "inchikey": "PUNXNTSNSVCCKV-QTBNWNMBSA-N", "inchikey2D": "PUNXNTSNSVCCKV", "names": [ "(+)-(5α,23R,24Z)-lanosta-8,24-dien-3,7-dioxo-23,26-γ-lactone", "(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2r)-1-[(2r)-4-methyl-5-oxo-2h-furan-2-yl]propan-2-yl]-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione" ], "molecular_formula": "C30H42O4", "smiles": "CC1=C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4=O)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0036439", "npaid": "NPA023770" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "UGYIDRFXVRAGAP-UHFFFAOYSA-N": { "inchikey": "UGYIDRFXVRAGAP-UHFFFAOYSA-N", "inchikey2D": "UGYIDRFXVRAGAP", "names": [ "1-(1,7-dihydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione" ], "molecular_formula": "C30H46O4", "smiles": "CC(=CCCC(CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)CO", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0188813" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "WQMDPDQGTLRSTR-GGYSHFSDSA-N": { "inchikey": "WQMDPDQGTLRSTR-GGYSHFSDSA-N", "inchikey2D": "WQMDPDQGTLRSTR", "names": [ "butyl (6r)-6-[(1r,3s,3ar,4s,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C34H52O7", "smiles": "CCCCOC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0248881" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CJGJKNWCOPSVLD-UHFFFAOYSA-N": { "inchikey": "CJGJKNWCOPSVLD-UHFFFAOYSA-N", "inchikey2D": "CJGJKNWCOPSVLD", "names": [ "methyl 10,14-dihydroxy-2-(prop-1-en-2-yl)-16-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-6,18-dioxapentacyclo[9.7.1.1¹,⁵.0⁷,¹⁹.0¹²,¹⁷]icosa-7(19),8,10,12,14,16-hexaene-5-carboxylate" ], "molecular_formula": "C38H46O6", "smiles": "C=C(C)C1CCC2(C(=O)OC)CC13Oc1c(CC=C(C)CCC=C(C)CCC=C(C)C)cc(O)cc1-c1c(O)ccc(c13)O2", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0051489" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "CJGJKNWCOPSVLD-AQZWAIHVSA-N": { "inchikey": "CJGJKNWCOPSVLD-AQZWAIHVSA-N", "inchikey2D": "CJGJKNWCOPSVLD", "names": [ "Cochlearoid C", "methyl (1r,2s,5s)-10,14-dihydroxy-2-(prop-1-en-2-yl)-16-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-6,18-dioxapentacyclo[9.7.1.1¹,⁵.0⁷,¹⁹.0¹²,¹⁷]icosa-7(19),8,10,12,14,16-hexaene-5-carboxylate" ], "molecular_formula": "C38H46O6", "smiles": "C=C(C)[C@@H]1CC[C@@]2(C(=O)OC)C[C@@]13Oc1c(C/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)cc(O)cc1-c1c(O)ccc(c13)O2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0036371", "npaid": "NPA019220" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "ZAXYODGMXBVXFP-UHFFFAOYSA-N": { "inchikey": "ZAXYODGMXBVXFP-UHFFFAOYSA-N", "inchikey2D": "ZAXYODGMXBVXFP", "names": [ "7-(hydroxymethyl)-5,7-dimethyl-3h,4h,6h,8h-indeno[5,6-c]pyran-1-one" ], "molecular_formula": "C15H18O3", "smiles": "Cc1c2c(cc3c1CCOC3=O)CC(C)(CO)C2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0226428" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "DKZXEHHGZYVJLI-DEUPEMGMSA-N": { "inchikey": "DKZXEHHGZYVJLI-DEUPEMGMSA-N", "inchikey2D": "DKZXEHHGZYVJLI", "names": [ "(5z)-6-[(1r,3ar,4s,5ar,9as,11s,11ar)-11-(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid", "12β-Acetoxy-7β-hydroxy-3,11,15,23-tetraoxo-5α-lanosta-8,20-dien-26-oic acid" ], "molecular_formula": "C32H42O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C([C@@H](O)C[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)C(=O)C[C@H](/C(C)=C\\C(=O)CC(C)C(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0188052", "npaid": "NPA008485" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YCXUCEXEMJPDRZ-UHFFFAOYSA-N": { "inchikey": "YCXUCEXEMJPDRZ-UHFFFAOYSA-N", "inchikey2D": "YCXUCEXEMJPDRZ", "names": [ "6-[11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H44O9", "smiles": "CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CC(=O)CC(C)C(=O)O)C12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0242405" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NGQBPTCJUKNWJC-UHFFFAOYSA-N": { "inchikey": "NGQBPTCJUKNWJC-UHFFFAOYSA-N", "inchikey2D": "NGQBPTCJUKNWJC", "names": [ "methyl 4-{7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoate" ], "molecular_formula": "C28H40O7", "smiles": "COC(=O)CCC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0225218" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VVROITPOWNOLCH-XKGHZETQSA-N": { "inchikey": "VVROITPOWNOLCH-XKGHZETQSA-N", "inchikey2D": "VVROITPOWNOLCH", "names": [ "(-)-spirocochlealactone B", "(3r,4r)-3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4'-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-6-hydroxy-3-(4-methylpent-3-en-1-yl)spiro[1-benzopyran-4,2'-furan]-2,5'-dione" ], "molecular_formula": "C37H42O8", "smiles": "CC(C)=CCC/C(C)=C/CCC1=C[C@@]2(OC1=O)c1cc(O)ccc1OC(=O)[C@]2(CCC=C(C)C)CC(=O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0190978", "npaid": "NPA028196" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "CFBBUWFXWSYJHB-OCKHKDLRSA-N": { "inchikey": "CFBBUWFXWSYJHB-OCKHKDLRSA-N", "inchikey2D": "CFBBUWFXWSYJHB", "names": [ "(2z)-6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enal" ], "molecular_formula": "C30H46O3", "smiles": "C/C(C=O)=C/CCC(C)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0245451" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QVALJVWVGGEFKU-RTSZMLJOSA-N": { "inchikey": "QVALJVWVGGEFKU-RTSZMLJOSA-N", "inchikey2D": "QVALJVWVGGEFKU", "names": [ "(6r)-6-[(1r,3r,3ar,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganoderic acid α" ], "molecular_formula": "C32H46O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)[C@H](O)C[C@H]([C@H](C)CC(=O)CC(C)C(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0242880", "npaid": "NPA013067" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KWZNLJRIABJHPG-RWJZXRPQSA-N": { "inchikey": "KWZNLJRIABJHPG-RWJZXRPQSA-N", "inchikey2D": "KWZNLJRIABJHPG", "names": [ "(1r,3ar,5as,9as,11ar)-1-[(2r)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-2,7-dione" ], "molecular_formula": "C30H44O4", "smiles": "C[C@H](CCC=C(CO)CO)[C@H]1C(=O)C[C@@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0242819" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "QLZRVDOOUFSGBH-DKUONJQNSA-N": { "inchikey": "QLZRVDOOUFSGBH-DKUONJQNSA-N", "inchikey2D": "QLZRVDOOUFSGBH", "names": [ "(1r,3s,3ar,7s,9as,11ar)-1-[(2r)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthrene-3,7-diol", "Ganodermatetraol" ], "molecular_formula": "C30H48O4", "smiles": "C[C@H](CCC=C(CO)CO)[C@H]1C[C@H](O)[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0255699", "npaid": "NPA006421" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "QIZQYDGATDXOSJ-VMSKQDPBSA-N": { "inchikey": "QIZQYDGATDXOSJ-VMSKQDPBSA-N", "inchikey2D": "QIZQYDGATDXOSJ", "names": [ "methyl (2s,6r)-6-[(1r,3ar,4s,5ar,7s,9as,11s,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O8", "smiles": "COC(=O)[C@@H](C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0039720" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PYYGTFCWFIRWQC-UHFFFAOYSA-N": { "inchikey": "PYYGTFCWFIRWQC-UHFFFAOYSA-N", "inchikey2D": "PYYGTFCWFIRWQC", "names": [ "6-{3,4-dihydroxy-6,6,9a,11a-tetramethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C29H42O7", "smiles": "CC(CC(=O)CC(C)C1CC(O)C2C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0185841" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "NIMMHBASIZOWOI-XZFWSZNQSA-N": { "inchikey": "NIMMHBASIZOWOI-XZFWSZNQSA-N", "inchikey2D": "NIMMHBASIZOWOI", "names": [ "(4r)-4-[(3r,3ar,6s,9s,9br)-9-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]pentanoic acid", "Fornicatin D" ], "molecular_formula": "C28H42O6", "smiles": "C=C(C)C1C[C@H](O)C2=C(C(=O)C[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)OC", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0186165", "npaid": "NPA015298" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "PBRWVXAYDRQRGX-UHFFFAOYSA-N": { "inchikey": "PBRWVXAYDRQRGX-UHFFFAOYSA-N", "inchikey2D": "PBRWVXAYDRQRGX", "names": [ "3-hydroxy-1-(7-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H46O3", "smiles": "CC(=CCCC(C)C1CC(O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0048280" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GXKWNYCHKLAQPO-UHFFFAOYSA-N": { "inchikey": "GXKWNYCHKLAQPO-UHFFFAOYSA-N", "inchikey2D": "GXKWNYCHKLAQPO", "names": [ "5-(acetyloxy)-6-[3,7-bis(acetyloxy)-4-methoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C37H56O9", "smiles": "COC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)C(OC(C)=O)CC(C(C)C(CC=C(C)C(=O)O)OC(C)=O)C1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0159788" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HDTRYLNUVZCQOY-LIZSDCNHSA-N": { "inchikey": "HDTRYLNUVZCQOY-LIZSDCNHSA-N", "inchikey2D": "HDTRYLNUVZCQOY", "names": [ "α,α'-trehalose" ], "molecular_formula": "C12H22O11", "smiles": "OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Grifola", "[query-hint] Lentinula", "[query-hint] Phellinus", "[query-hint] Volvariella" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0256842" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Grifola==Grifola", "INCLUDE:Lentinula==Lentinula", "INCLUDE:Phellinus==Phellinus" ] }, "JFCYOZDABVWLAB-UHFFFAOYSA-N": { "inchikey": "JFCYOZDABVWLAB-UHFFFAOYSA-N", "inchikey2D": "JFCYOZDABVWLAB", "names": [ "6-{3a,6,6,9a,11a-pentamethyl-3,7,11-trioxo-5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H38O7", "smiles": "CC(CC(=O)CC(C)(O)C1=CC(=O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CC(=O)C12C)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0191724" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "PLCLICIRIHEOIB-YFGNPAJLSA-N": { "inchikey": "PLCLICIRIHEOIB-YFGNPAJLSA-N", "inchikey2D": "PLCLICIRIHEOIB", "names": [ "methyl (6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H42O7", "smiles": "COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0057107" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HRPBTWCAWWKHRP-PLMTUMEDSA-N": { "inchikey": "HRPBTWCAWWKHRP-PLMTUMEDSA-N", "inchikey2D": "HRPBTWCAWWKHRP", "names": [ "(6r,6as,10as)-2-hydroxy-6-methyl-6-(4-methylpent-3-en-1-yl)-6ah,7h,8h,10ah-benzo[c]isochromene-9-carboxylic acid", "(±)-dayaolingzhiol A" ], "molecular_formula": "C21H26O4", "smiles": "CC(C)=CCC[C@@]1(C)Oc2ccc(O)cc2[C@H]2C=C(C(=O)O)CC[C@@H]21", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0251441", "npaid": "NPA025729" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PYYGTFCWFIRWQC-HMCBZZRBSA-N": { "inchikey": "PYYGTFCWFIRWQC-HMCBZZRBSA-N", "inchikey2D": "PYYGTFCWFIRWQC", "names": [ "(2r,6r)-6-[(1r,3s,3ar,4s,5ar,9as,11ar)-3,4-dihydroxy-6,6,9a,11a-tetramethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C29H42O7", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0229687" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "VMEFPSOTFFVAQJ-QOYRIEAASA-N": { "inchikey": "VMEFPSOTFFVAQJ-QOYRIEAASA-N", "inchikey2D": "VMEFPSOTFFVAQJ", "names": [ "(6r)-6-[(1r,3ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylheptane-1,2,3-triol" ], "molecular_formula": "C30H50O4", "smiles": "C[C@H](CCC(O)C(C)(O)CO)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0037282" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VQGRARXMDOEPFR-UHFFFAOYSA-N": { "inchikey": "VQGRARXMDOEPFR-UHFFFAOYSA-N", "inchikey2D": "VQGRARXMDOEPFR", "names": [ "6-{7,10-dihydroxy-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enal" ], "molecular_formula": "C30H46O4", "smiles": "CC(C=O)=CCCC(C)C1CCC2(C)C3=C(C(O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0045533" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "RNXUXOBDUSSLDU-UHFFFAOYSA-N": { "inchikey": "RNXUXOBDUSSLDU-UHFFFAOYSA-N", "inchikey2D": "RNXUXOBDUSSLDU", "names": [ "ethyl 3-[5-(hydroxymethyl)furan-2-yl]-4-oxopent-2-enoate" ], "molecular_formula": "C12H14O5", "smiles": "CCOC(=O)C=C(C(C)=O)c1ccc(CO)o1", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0256828" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "YVBAUDVGOFCUSG-UHFFFAOYSA-N": { "inchikey": "YVBAUDVGOFCUSG-UHFFFAOYSA-N", "inchikey2D": "YVBAUDVGOFCUSG", "names": [ "amylfuran" ], "molecular_formula": "C9H14O", "smiles": "CCCCCc1ccco1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0044471" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FFMHRFMHJKVBHE-FPXCJPBYSA-N": { "inchikey": "FFMHRFMHJKVBHE-FPXCJPBYSA-N", "inchikey2D": "FFMHRFMHJKVBHE", "names": [ "(4s)-4-[(1s,3ar,4s,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxypentanoic acid" ], "molecular_formula": "C29H42O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C([C@@H](O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@@](C)(O)CCC(=O)O)[C@@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0019745" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "APMICFQMLNFXRZ-RUGOWIIJSA-N": { "inchikey": "APMICFQMLNFXRZ-RUGOWIIJSA-N", "inchikey2D": "APMICFQMLNFXRZ", "names": [ "4-[(1r,3ar,4s,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pent-4-enoic acid" ], "molecular_formula": "C27H36O6", "smiles": "C=C(CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0046071" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "DTUQWGWMVIHBKE-UHFFFAOYSA-N": { "inchikey": "DTUQWGWMVIHBKE-UHFFFAOYSA-N", "inchikey2D": "DTUQWGWMVIHBKE", "names": [ "phenylacetaldehyde" ], "molecular_formula": "C8H8O", "smiles": "O=CCc1ccccc1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum", "[query-hint] Phallus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0245512" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Phallus==Phallus" ] }, "UDYMSQQWPPCJJI-TXIVJNIMSA-N": { "inchikey": "UDYMSQQWPPCJJI-TXIVJNIMSA-N", "inchikey2D": "UDYMSQQWPPCJJI", "names": [ "(2s,3s,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-1,2-dihydroxy-2-methylheptan-3-yl (2z,5e,9e)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoate" ], "molecular_formula": "C51H72O9", "smiles": "C/C(=C\\CC/C(C)=C/CC/C(=C/C(=O)c1cc(O)ccc1O)C(=O)O[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)[C@@](C)(O)CO)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0228298" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "ZRNXURLYNFMZRS-UHFFFAOYSA-N": { "inchikey": "ZRNXURLYNFMZRS-UHFFFAOYSA-N", "inchikey2D": "ZRNXURLYNFMZRS", "names": [ "4-hydroxy-2-methyl-6-{3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}heptanoic acid" ], "molecular_formula": "C30H48O7", "smiles": "CC(CC(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0022355" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AAKOJKILQYULNF-GIDUJCDVSA-N": { "inchikey": "AAKOJKILQYULNF-GIDUJCDVSA-N", "inchikey2D": "AAKOJKILQYULNF", "names": [ "5-(2,5-dihydroxyphenyl)-3-[(3e)-4,8-dimethyl-7-oxonon-3-en-1-yl]-5-methoxyfuran-2-one", "Australeol C" ], "molecular_formula": "C22H28O6", "smiles": "COC1(c2cc(O)ccc2O)C=C(CC/C=C(\\C)CCC(=O)C(C)C)C(=O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0253914", "npaid": "NPA026949" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "KLERAWCDVJYHNH-KOKLGGJKSA-N": { "inchikey": "KLERAWCDVJYHNH-KOKLGGJKSA-N", "inchikey2D": "KLERAWCDVJYHNH", "names": [ "(+)-(5α,24E)-3β-acetoxyllanosta-7,9(11),24-triene-26-OL", "(1r,3ar,5ar,7s,9as,11ar)-1-[(2r,5e)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl formate" ], "molecular_formula": "C31H48O3", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC=O)CC[C@]4(C)C3=CC[C@]12C)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0249244", "npaid": "NPA023765" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "MHGVHCDAKLKLEF-UHFFFAOYSA-N": { "inchikey": "MHGVHCDAKLKLEF-UHFFFAOYSA-N", "inchikey2D": "MHGVHCDAKLKLEF", "names": [ "[3-ethyl-1-(methoxycarbonyl)cyclohex-2-en-1-yl]acetic acid" ], "molecular_formula": "C12H18O4", "smiles": "CCC1=CC(CC(=O)O)(C(=O)OC)CCC1", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0257926" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "WOPTZWYPTVGOEK-DBYBYDHOSA-N": { "inchikey": "WOPTZWYPTVGOEK-DBYBYDHOSA-N", "inchikey2D": "WOPTZWYPTVGOEK", "names": [ "(2s,3as,3bs,5as,7s,9as,9bs,11ar)-2-[(2s,3e,5s)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C28H48O", "smiles": "CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0248161" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "KVJZTPHJCIMWTR-UHFFFAOYSA-N": { "inchikey": "KVJZTPHJCIMWTR-UHFFFAOYSA-N", "inchikey2D": "KVJZTPHJCIMWTR", "names": [ "5-[5-(2,5-dihydroxyphenyl)-2-oxo-5h-furan-3-yl]-2-(methoxymethyl)pent-2-enal", "Oregonensin B" ], "molecular_formula": "C17H18O6", "smiles": "COCC(C=O)=CCCC1=CC(c2cc(O)ccc2O)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0255858", "npaid": "NPA024960" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "KNBIXJUWSSXAAS-UHFFFAOYSA-N": { "inchikey": "KNBIXJUWSSXAAS-UHFFFAOYSA-N", "inchikey2D": "KNBIXJUWSSXAAS", "names": [ "4-{9,17-dihydroxy-2,6,6,11,15-pentamethyl-5,12-dioxopentacyclo[8.7.0.0²,⁷.0³,¹⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}pentanoic acid" ], "molecular_formula": "C27H38O6", "smiles": "CC(CCC(=O)O)C1CC(=O)C2(C)C3=C4C(O)(CC12C)C1CC(=O)C(C)(C)C(CC3O)C41C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0259147" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "CDMIUADADKTUFY-VCZKSATPSA-N": { "inchikey": "CDMIUADADKTUFY-VCZKSATPSA-N", "inchikey2D": "CDMIUADADKTUFY", "names": [ "(2s,6s)-6-[(3as,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,11-trioxo-5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid", "Applanoic acid D" ], "molecular_formula": "C30H38O8", "smiles": "C[C@@H](CC(=O)C[C@](C)(O)C1=CC(=O)[C@@]2(C)C3=C(O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC(=O)[C@]12C)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0248383", "npaid": "NPA025889" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "XZPGUQWQPJEACY-UIAQYYJJSA-N": { "inchikey": "XZPGUQWQPJEACY-UIAQYYJJSA-N", "inchikey2D": "XZPGUQWQPJEACY", "names": [ "(1r,3ar,5ar,7s,9as,11ar)-1-[(2r,5e)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl acetate", "3-acetyl-ganodermadiol" ], "molecular_formula": "C32H50O3", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(\\C)CO)CC[C@@]4(C)C3=CC[C@H]2C1(C)C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0057999", "npaid": "NPA026002" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "WUOACPNHFRMFPN-SECBINFHSA-N": { "inchikey": "WUOACPNHFRMFPN-SECBINFHSA-N", "inchikey2D": "WUOACPNHFRMFPN", "names": [ "(+)-α-terpineol" ], "molecular_formula": "C10H18O", "smiles": "CC1=CC[C@@H](C(C)(C)O)CC1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0258249" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UDYMSQQWPPCJJI-ODHMFEJESA-N": { "inchikey": "UDYMSQQWPPCJJI-ODHMFEJESA-N", "inchikey2D": "UDYMSQQWPPCJJI", "names": [ "(2r,3s,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-1,2-dihydroxy-2-methylheptan-3-yl (2z,5e,9e)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoate" ], "molecular_formula": "C51H72O9", "smiles": "C/C(=C\\CC/C(C)=C/CC/C(=C/C(=O)c1cc(O)ccc1O)C(=O)O[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)[C@](C)(O)CO)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0257730" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "QVBJFSJKFHBAPS-KYRIWECLSA-N": { "inchikey": "QVBJFSJKFHBAPS-KYRIWECLSA-N", "inchikey2D": "QVBJFSJKFHBAPS", "names": [ "(4s)-4-[(1s,3ar,5ar,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxypentanoic acid" ], "molecular_formula": "C29H38O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@@](C)(O)CCC(=O)O)[C@@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0045103" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SFOQBXHAGFVBPZ-ISSSRCBTSA-N": { "inchikey": "SFOQBXHAGFVBPZ-ISSSRCBTSA-N", "inchikey2D": "SFOQBXHAGFVBPZ", "names": [ "(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-1-[(2r)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one", "Ganoderiol E" ], "molecular_formula": "C30H48O4", "smiles": "C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0119032", "npaid": "NPA018809" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "IOWUVXAOWFISEL-UHFFFAOYSA-N": { "inchikey": "IOWUVXAOWFISEL-UHFFFAOYSA-N", "inchikey2D": "IOWUVXAOWFISEL", "names": [ "6-[11-(acetyloxy)-6-{[(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy]methyl}-4-hydroxy-3a,6,9a,11a-tetramethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C38H52O13", "smiles": "CC(=O)OC1C(=O)C2=C(C(O)CC3C(C)(COC(=O)CC(C)(O)CC(=O)O)C(=O)CCC23C)C2(C)C(=O)CC(C(C)CCC=C(C)C(=O)O)C12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0043422" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "ORVNVUQPUSWABI-UHFFFAOYSA-N": { "inchikey": "ORVNVUQPUSWABI-UHFFFAOYSA-N", "inchikey2D": "ORVNVUQPUSWABI", "names": [ "methyl 5-hydroxy-5'-(3-hydroxyprop-1-en-2-yl)-3-oxospiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylate" ], "molecular_formula": "C17H18O6", "smiles": "C=C(CO)C1CCC(C(=O)OC)C12Oc1ccc(O)cc1C2=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0067890" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "VBGDQDJVTLQGNO-WQKAMZHQSA-N": { "inchikey": "VBGDQDJVTLQGNO-WQKAMZHQSA-N", "inchikey2D": "VBGDQDJVTLQGNO", "names": [ "(2r,6s)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H40O7", "smiles": "C[C@@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0067568" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UBGHTOOEMRLEGM-UHFFFAOYSA-N": { "inchikey": "UBGHTOOEMRLEGM-UHFFFAOYSA-N", "inchikey2D": "UBGHTOOEMRLEGM", "names": [ "5-(acetyloxy)-6-[7-(acetyloxy)-4-methoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C35H54O7", "smiles": "COC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)CCC(C(C)C(CC=C(C)C(=O)O)OC(C)=O)C1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0069011" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SKTWPLRWZJQPGR-HQSRWKRESA-N": { "inchikey": "SKTWPLRWZJQPGR-HQSRWKRESA-N", "inchikey2D": "SKTWPLRWZJQPGR", "names": [ "6-[(1s,3s,3ar,5ar,9as,11ar)-3-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methylhept-2-enoic acid", "Ganoderic acid Σ" ], "molecular_formula": "C30H44O7", "smiles": "CC(=CCCC(C)(O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(CO)[C@@H]1CC3)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0068188", "npaid": "NPA011997" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LYTOFEWEKDWPNE-XHGYUQJMSA-N": { "inchikey": "LYTOFEWEKDWPNE-XHGYUQJMSA-N", "inchikey2D": "LYTOFEWEKDWPNE", "names": [ "(6r)-6-[(3s,3ar,5ar,7s,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganoderense B" ], "molecular_formula": "C30H42O7", "smiles": "CC(CC(=O)C[C@@H](C)C1=C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0127851", "npaid": "NPA027919" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "QNPQAWMNRANZDV-UHOFOFEASA-N": { "inchikey": "QNPQAWMNRANZDV-UHOFOFEASA-N", "inchikey2D": "QNPQAWMNRANZDV", "names": [ "(+)-applanatumol I", "(3as,4r,6ar)-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-1-oxo-tetrahydrocyclopenta[c]furan-3a-carboxylic acid" ], "molecular_formula": "C16H16O8", "smiles": "O=C(C[C@]12CC[C@@H](O)[C@@]1(C(=O)O)COC2=O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0267518", "npaid": "NPA002299" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "NCGJGPSWDDQPKM-UHFFFAOYSA-N": { "inchikey": "NCGJGPSWDDQPKM-UHFFFAOYSA-N", "inchikey2D": "NCGJGPSWDDQPKM", "names": [ "4-{11-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoic acid" ], "molecular_formula": "C27H36O7", "smiles": "CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0062299" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HDTRYLNUVZCQOY-UHFFFAOYSA-N": { "inchikey": "HDTRYLNUVZCQOY-UHFFFAOYSA-N", "inchikey2D": "HDTRYLNUVZCQOY", "names": [ "trehalose" ], "molecular_formula": "C12H22O11", "smiles": "OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Grifola", "[query-hint] Lentinula", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0060329" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Grifola==Grifola", "INCLUDE:Lentinula==Lentinula", "INCLUDE:Phellinus==Phellinus" ] }, "SGVUAJJCIGJLFB-UHFFFAOYSA-N": { "inchikey": "SGVUAJJCIGJLFB-UHFFFAOYSA-N", "inchikey2D": "SGVUAJJCIGJLFB", "names": [ "3,4,7-trihydroxy-1-(1-hydroxypropan-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-10-one" ], "molecular_formula": "C25H40O5", "smiles": "CC(CO)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0060096" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "YCWGPALSXRBKTM-XGNRZNIMSA-N": { "inchikey": "YCWGPALSXRBKTM-XGNRZNIMSA-N", "inchikey2D": "YCWGPALSXRBKTM", "names": [ "(2e,6r)-6-[(1r,3s,3ar,5ar,7r,9as,11ar)-3-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H48O5", "smiles": "CC(=O)O[C@H]1C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0009606" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ICIQEEKXLSGEHH-UHFFFAOYSA-N": { "inchikey": "ICIQEEKXLSGEHH-UHFFFAOYSA-N", "inchikey2D": "ICIQEEKXLSGEHH", "names": [ "methyl 6-[11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C33H44O9", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0009027" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AGSYOZCRYSLYLA-APIKOIKYSA-N": { "inchikey": "AGSYOZCRYSLYLA-APIKOIKYSA-N", "inchikey2D": "AGSYOZCRYSLYLA", "names": [ "(1s,3s,5r,10s,14r,15s,17r,18s)-15-acetyl-17-hydroxy-6,6,10,14,18-pentamethyl-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-ene-7,13-dione", "Applanone E" ], "molecular_formula": "C24H32O5", "smiles": "CC(=O)[C@H]1C[C@@H](O)[C@@]2(C)[C@]34O[C@H]3C[C@H]3C(C)(C)C(=O)CC[C@]3(C)C4=CC(=O)[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0010369", "npaid": "NPA025882" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "FWZRMYARQHUFQY-UHFFFAOYSA-N": { "inchikey": "FWZRMYARQHUFQY-UHFFFAOYSA-N", "inchikey2D": "FWZRMYARQHUFQY", "names": [ "4-[4,7-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H40O7", "smiles": "CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0043088" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RZBILUATLYXZLI-CMYAPOKPSA-N": { "inchikey": "RZBILUATLYXZLI-CMYAPOKPSA-N", "inchikey2D": "RZBILUATLYXZLI", "names": [ "(2s,6r)-6-[(1r,3s,3as,4s,5ar,7s,9ar,11as)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H46O8", "smiles": "C[C@@H](CC(=O)C[C@@](C)(O)[C@@H]1C[C@H](O)[C@]2(C)C3=C(C(=O)C[C@@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0133526" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LBKKFFIMKQLKCZ-FUQRXLFESA-N": { "inchikey": "LBKKFFIMKQLKCZ-FUQRXLFESA-N", "inchikey2D": "LBKKFFIMKQLKCZ", "names": [ "Methyl ganoderate G1", "methyl (6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11s,11ar)-3,4,7,11-tetrahydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H48O8", "smiles": "COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0060414", "npaid": "NPA026212" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MVAPDQHLSIGXSG-UHFFFAOYSA-N": { "inchikey": "MVAPDQHLSIGXSG-UHFFFAOYSA-N", "inchikey2D": "MVAPDQHLSIGXSG", "names": [ "6-{3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H46O6", "smiles": "CC(=CCCC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0268015" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "YTVGSCZIHGRVAV-NJNFCIENSA-N": { "inchikey": "YTVGSCZIHGRVAV-NJNFCIENSA-N", "inchikey2D": "YTVGSCZIHGRVAV", "names": [ "(2r,6r)-6-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O7", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0131580" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RTEHLCKIRCYCAH-AHVPDOLASA-N": { "inchikey": "RTEHLCKIRCYCAH-AHVPDOLASA-N", "inchikey2D": "RTEHLCKIRCYCAH", "names": [ "12β-acetoxy-3β,7β-dihydroxy-11,15,23-trioxolanost-8-en-26-oic acid butyl ester", "butyl (6r)-6-[(1r,3ar,4s,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C36H54O9", "smiles": "CCCCOC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0056390", "npaid": "NPA010893" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "IURJGJVSAQSDJJ-UHFFFAOYSA-N": { "inchikey": "IURJGJVSAQSDJJ-UHFFFAOYSA-N", "inchikey2D": "IURJGJVSAQSDJJ", "names": [ "methyl 4-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoate" ], "molecular_formula": "C28H42O6", "smiles": "COC(=O)CCC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0255426" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "OCEDEURDZRRULA-UHFFFAOYSA-N": { "inchikey": "OCEDEURDZRRULA-UHFFFAOYSA-N", "inchikey2D": "OCEDEURDZRRULA", "names": [ "butyl 6-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C34H52O7", "smiles": "CCCCOC(=O)C(C)CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0268838" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XZKWKMSUTLJOMB-UHFFFAOYSA-N": { "inchikey": "XZKWKMSUTLJOMB-UHFFFAOYSA-N", "inchikey2D": "XZKWKMSUTLJOMB", "names": [ "4-hydroxy-4-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoic acid" ], "molecular_formula": "C27H38O7", "smiles": "CC(O)(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0005541" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "PEGUBVVGNSOOBD-SPQZLIEPSA-N": { "inchikey": "PEGUBVVGNSOOBD-SPQZLIEPSA-N", "inchikey2D": "PEGUBVVGNSOOBD", "names": [ "(5z)-6-[(1r,3r,3ar,5ar,9as,11r,11ar)-3,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O8", "smiles": "C/C(=C/C(=O)CC(C)C(=O)O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0113606" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "XMYLZWSISVUIGW-UHFFFAOYSA-N": { "inchikey": "XMYLZWSISVUIGW-UHFFFAOYSA-N", "inchikey2D": "XMYLZWSISVUIGW", "names": [ "methyl 3-{3-hydroxy-2,6,10-trimethyl-5-[1-(4-methyl-5-oxooxolan-2-yl)prop-1-en-2-yl]-7-oxo-11-(prop-1-en-2-yl)-14-oxatetracyclo[7.5.0.0¹,¹³.0²,⁶]tetradec-8-en-10-yl}propanoate" ], "molecular_formula": "C31H42O7", "smiles": "C=C(C)C1CC2OC23C(=CC(=O)C2(C)C(C(C)=CC4CC(C)C(=O)O4)CC(O)C23C)C1(C)CCC(=O)OC", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0055201" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "JOFJXWXVPFAZPK-UHFFFAOYSA-N": { "inchikey": "JOFJXWXVPFAZPK-UHFFFAOYSA-N", "inchikey2D": "JOFJXWXVPFAZPK", "names": [ "methyl 4-[11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C30H40O8", "smiles": "COC(=O)CCC(C)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0002883" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "TWZIYFUINRYVHC-UHFFFAOYSA-N": { "inchikey": "TWZIYFUINRYVHC-UHFFFAOYSA-N", "inchikey2D": "TWZIYFUINRYVHC", "names": [ "3'-formyl-5-hydroxy-3-oxospiro[1-benzofuran-2,1'-cycloheptan]-3'-ene-7'-carboxylic acid" ], "molecular_formula": "C16H14O6", "smiles": "O=CC1=CCCC(C(=O)O)C2(C1)Oc1ccc(O)cc1C2=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0273231" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "JOFJXWXVPFAZPK-WXWUJWGYSA-N": { "inchikey": "JOFJXWXVPFAZPK-WXWUJWGYSA-N", "inchikey2D": "JOFJXWXVPFAZPK", "names": [ "methyl (4s)-4-[(1r,3ar,5as,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C30H40O8", "smiles": "COC(=O)CC[C@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0036814" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZXYSCJISDAKHPX-IRFVERNZSA-N": { "inchikey": "ZXYSCJISDAKHPX-IRFVERNZSA-N", "inchikey2D": "ZXYSCJISDAKHPX", "names": [ "methyl (4r)-4-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C28H38O6", "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0054088" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LXPCMDWZXBCCCS-WJBNYFACSA-N": { "inchikey": "LXPCMDWZXBCCCS-WJBNYFACSA-N", "inchikey2D": "LXPCMDWZXBCCCS", "names": [ "6-[(1s,3s,3ar,4s,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid", "7β,15α,20-trihydroxy-3,11,23-trioxo-5α-lanosta-8-en-26-oic acid" ], "molecular_formula": "C30H44O8", "smiles": "CC(CC(=O)CC(C)(O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0012448", "npaid": "NPA026274" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VRHKQOAYXJYGPL-UHFFFAOYSA-N": { "inchikey": "VRHKQOAYXJYGPL-UHFFFAOYSA-N", "inchikey2D": "VRHKQOAYXJYGPL", "names": [ "9-methoxy-8-oxa-17-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),2,4,6,10,15-hexaene-4,14-diol", "Ganoapplanatumine B" ], "molecular_formula": "C16H15NO4", "smiles": "COC1Oc2ccc(O)cc2-c2ncc3c(c21)CCC3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0008218", "npaid": "NPA006257" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "FFHZCNIREJAVOS-UTAGODHDSA-N": { "inchikey": "FFHZCNIREJAVOS-UTAGODHDSA-N", "inchikey2D": "FFHZCNIREJAVOS", "names": [ "(2e)-6-[(1r,3s,3ar,7s,9as,11ar)-3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "3b,15a-Diacetoxylanosta-8,24-dien-26-oic acid" ], "molecular_formula": "C34H52O6", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=C(CCC2C1(C)C)[C@]1(C)[C@@H](OC(C)=O)C[C@H](C(C)CC/C=C(\\C)C(=O)O)[C@@]1(C)CC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0134338", "npaid": "NPA007011" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HUTCYUJPLOTDMX-SPPZYOJVSA-N": { "inchikey": "HUTCYUJPLOTDMX-SPPZYOJVSA-N", "inchikey2D": "HUTCYUJPLOTDMX", "names": [ "(2e,6r)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H46O3", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0064807" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KUXMNDKEYFTKBS-FBFSRSFHSA-N": { "inchikey": "KUXMNDKEYFTKBS-FBFSRSFHSA-N", "inchikey2D": "KUXMNDKEYFTKBS", "names": [ "(2e,6r)-6-[(1r,3s,3ar,4r,5ar,9as,11ar)-3-(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H48O6", "smiles": "CC(=O)O[C@H]1C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]2(C)CCC3=C([C@H](O)C[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0255134" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QAAGUCRGWOVTQZ-UHFFFAOYSA-N": { "inchikey": "QAAGUCRGWOVTQZ-UHFFFAOYSA-N", "inchikey2D": "QAAGUCRGWOVTQZ", "names": [ "ethyl octadeca-10,13-dienoate" ], "molecular_formula": "C20H36O2", "smiles": "CCCCC=CCC=CCCCCCCCCC(=O)OCC", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0052346" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BWCNWXLKMWWVBT-BUQPIMCASA-N": { "inchikey": "BWCNWXLKMWWVBT-BUQPIMCASA-N", "inchikey2D": "BWCNWXLKMWWVBT", "names": [ "(2s,6r)-6-[(1r,3ar,5ar,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H42O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@H](C)CC(=O)C[C@H](C)C(=O)O)[C@@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0264565" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KUXMNDKEYFTKBS-UHFFFAOYSA-N": { "inchikey": "KUXMNDKEYFTKBS-UHFFFAOYSA-N", "inchikey2D": "KUXMNDKEYFTKBS", "names": [ "6-[3-(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H48O6", "smiles": "CC(=O)OC1CC(C(C)CCC=C(C)C(=O)O)C2(C)CCC3=C(C(O)CC4C(C)(C)C(=O)CCC34C)C12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0135522" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GFKYVWHGNWCEQF-UHFFFAOYSA-N": { "inchikey": "GFKYVWHGNWCEQF-UHFFFAOYSA-N", "inchikey2D": "GFKYVWHGNWCEQF", "names": [ "6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O7", "smiles": "CC(=CC(=O)CC(C)C(=O)O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0047546" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "LWPLEHFGBRFRKI-TWZAYKDTSA-N": { "inchikey": "LWPLEHFGBRFRKI-TWZAYKDTSA-N", "inchikey2D": "LWPLEHFGBRFRKI", "names": [ "(2r,6s)-6-[(1r,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O7", "smiles": "C[C@@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0014600" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "INIPQDKLXQHEAJ-HHIQWDRXSA-N": { "inchikey": "INIPQDKLXQHEAJ-HHIQWDRXSA-N", "inchikey2D": "INIPQDKLXQHEAJ", "names": [ "(4s)-4-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H38O6", "smiles": "C[C@@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0040564" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YBGBNHHXOJXFNM-ZMGHDUGISA-N": { "inchikey": "YBGBNHHXOJXFNM-ZMGHDUGISA-N", "inchikey2D": "YBGBNHHXOJXFNM", "names": [ "(4r)-4-[(1r,3ar,4s,5as,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H40O6", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0057522" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YTVGSCZIHGRVAV-RNHMAOHMSA-N": { "inchikey": "YTVGSCZIHGRVAV-RNHMAOHMSA-N", "inchikey2D": "YTVGSCZIHGRVAV", "names": [ "(2r,6r)-6-[(1r,3ar,4s,5as,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O7", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0135889" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OTUZGGSAOMCYNC-AEGHVTTBSA-N": { "inchikey": "OTUZGGSAOMCYNC-AEGHVTTBSA-N", "inchikey2D": "OTUZGGSAOMCYNC", "names": [ "(2e,6r)-6-[(1r,3s,3ar,5ar,7r,9as,11ar)-3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganodermic acid R" ], "molecular_formula": "C34H50O6", "smiles": "CC(=O)O[C@H]1C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0066068", "npaid": "NPA010785" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JJEVWMMZVRKZMT-HXUWFJFHSA-N": { "inchikey": "JJEVWMMZVRKZMT-HXUWFJFHSA-N", "inchikey2D": "JJEVWMMZVRKZMT", "names": [ "(+)-chizhine F", "(5r)-5-(2,5-dihydroxyphenyl)-3-(4,8-dimethyl-6-oxonona-3,7-dien-1-yl)-5h-furan-2-one" ], "molecular_formula": "C21H24O5", "smiles": "CC(C)=CC(=O)CC(C)=CCCC1=C[C@H](c2cc(O)ccc2O)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0051899", "npaid": "NPA005945" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XVRBREDEQUXGDX-IBEQZOFISA-N": { "inchikey": "XVRBREDEQUXGDX-IBEQZOFISA-N", "inchikey2D": "XVRBREDEQUXGDX", "names": [ "(1s,3s,3ar,4s,5ar,9as,11ar)-3,4-dihydroxy-1-[(3s)-3-(hydroxymethyl)-5-oxooxolan-3-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-7,10-dione", "Ganoleucoin Q" ], "molecular_formula": "C27H38O7", "smiles": "CC1(C)C(=O)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)[C@@H](O)C[C@H]([C@@]2(CO)COC(=O)C2)[C@@]1(C)CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0058626", "npaid": "NPA027843" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "AGUVWXMXJZLVKP-IGYRQUBSSA-N": { "inchikey": "AGUVWXMXJZLVKP-IGYRQUBSSA-N", "inchikey2D": "AGUVWXMXJZLVKP", "names": [ "(+)-lucidumone", "(1s,2s,10s,13s,14r,17s)-1-acetyl-5,8,17-trihydroxy-11-oxapentacyclo[11.3.1.0²,¹⁰.0⁴,⁹.0¹⁰,¹⁴]heptadeca-4,6,8-trien-3-one" ], "molecular_formula": "C18H18O6", "smiles": "CC(=O)[C@@]12CC[C@@H]3[C@@H](CO[C@@]34c3c(O)ccc(O)c3C(=O)[C@@H]14)[C@@H]2O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0006488", "npaid": "NPA026855" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XSLKAKROJKMHIT-UHFFFAOYSA-N": { "inchikey": "XSLKAKROJKMHIT-UHFFFAOYSA-N", "inchikey2D": "XSLKAKROJKMHIT", "names": [ "2-{2,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-enoic acid" ], "molecular_formula": "C30H46O4", "smiles": "CC(C)=CCCC(C(=O)O)C1C(O)CC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Wolfiporia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0111518" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Wolfiporia==Wolfiporia" ] }, "NXBOOZAQZQINMQ-ZMQRTPNOSA-N": { "inchikey": "NXBOOZAQZQINMQ-ZMQRTPNOSA-N", "inchikey2D": "NXBOOZAQZQINMQ", "names": [ "(1r,2s)-1-{[(1s,4ar,6s,8ar)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}propane-1,2,3-tricarboxylic acid" ], "molecular_formula": "C21H32O8", "smiles": "C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@H]1CO[C@@H](C(=O)O)[C@H](CC(=O)O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0126834" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "AAJIHHYEPHRIET-ZGIZRREZSA-N": { "inchikey": "AAJIHHYEPHRIET-ZGIZRREZSA-N", "inchikey2D": "AAJIHHYEPHRIET", "names": [ "(1r,3ar,5as,9as,11ar)-1-[(2r,5s)-5,6-dihydroxy-6-methylheptan-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H48O3", "smiles": "C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0053214" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WISYORQOKQXQDW-LCTKWGEDSA-N": { "inchikey": "WISYORQOKQXQDW-LCTKWGEDSA-N", "inchikey2D": "WISYORQOKQXQDW", "names": [ "methyl 20(21)-dehydrolucidenate A", "methyl 4-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pent-4-enoate" ], "molecular_formula": "C28H38O6", "smiles": "C=C(CCC(=O)OC)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0001488", "npaid": "NPA017149" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZPBDWFAEEABCPK-FOOBSJQJSA-N": { "inchikey": "ZPBDWFAEEABCPK-FOOBSJQJSA-N", "inchikey2D": "ZPBDWFAEEABCPK", "names": [ "(2s,5e)-6-[(1r,3r,3as,3bs,5ar,9as,11ar)-3,3b-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,7,11-trioxo-1h,2h,3h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid", "Applanoic acid B" ], "molecular_formula": "C30H40O8", "smiles": "C/C(=C\\C(=O)C[C@H](C)C(=O)O)[C@H]1C[C@@H](O)[C@@]2(C)[C@]3(O)C(=O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC(=O)[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0122357", "npaid": "NPA025887" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "GWCYTRLXOGOLBZ-JWPMPFJRSA-N": { "inchikey": "GWCYTRLXOGOLBZ-JWPMPFJRSA-N", "inchikey2D": "GWCYTRLXOGOLBZ", "names": [ "methyl (4r)-4-[(1r,3ar,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C30H42O8", "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0001223" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YXVYBSGFMJBSQD-UHFFFAOYSA-N": { "inchikey": "YXVYBSGFMJBSQD-UHFFFAOYSA-N", "inchikey2D": "YXVYBSGFMJBSQD", "names": [ "4-[6-(2-carboxyethyl)-9-hydroxy-3a,6,9b-trimethyl-5-oxo-7-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]pentanoic acid" ], "molecular_formula": "C27H40O6", "smiles": "C=C(C)C1CC(O)C2=C(C(=O)CC3(C)C(C(C)CCC(=O)O)CCC23C)C1(C)CCC(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0123066" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "BXYMDRLMMWHQPT-UHFFFAOYSA-N": { "inchikey": "BXYMDRLMMWHQPT-UHFFFAOYSA-N", "inchikey2D": "BXYMDRLMMWHQPT", "names": [ "2-hydroxy-1-(7-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H48O3", "smiles": "CC(=CCCC(C)C1C(O)CC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)CO", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0067776" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "AKWNYHCILPEENZ-GESKOEBASA-N": { "inchikey": "AKWNYHCILPEENZ-GESKOEBASA-N", "inchikey2D": "AKWNYHCILPEENZ", "names": [ "(2r,6r)-6-[(1r,3ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10,11-pentaoxo-1h,2h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H38O8", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C(=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0059847" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HUTCYUJPLOTDMX-BOSKRLFKSA-N": { "inchikey": "HUTCYUJPLOTDMX-BOSKRLFKSA-N", "inchikey2D": "HUTCYUJPLOTDMX", "names": [ "(2e,6r)-6-[(1r,3ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoderique acid Y" ], "molecular_formula": "C30H46O3", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0263450", "npaid": "NPA012772" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PKKKBFDTUPEZHH-QJRXBVQLSA-N": { "inchikey": "PKKKBFDTUPEZHH-QJRXBVQLSA-N", "inchikey2D": "PKKKBFDTUPEZHH", "names": [ "(1r,2s,4r,6r,7s)-4-hydroxy-10-(hydroxymethyl)-2,6-dimethyltricyclo[5.3.1.0²,⁶]undec-9-en-8-one", "Ganosinensine" ], "molecular_formula": "C14H20O3", "smiles": "C[C@@]12C[C@@H](O)C[C@]1(C)[C@@H]1C[C@H]2C(CO)=CC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0053194", "npaid": "NPA010489" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "BGKCUGPVLVNPSG-ANYFNZRUSA-N": { "inchikey": "BGKCUGPVLVNPSG-ANYFNZRUSA-N", "inchikey2D": "BGKCUGPVLVNPSG", "names": [ "(+)-β-irone" ], "molecular_formula": "C14H22O", "smiles": "CC(=O)/C=C/C1=C(C)CC[C@@H](C)C1(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0036168" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RDMQPKIDHAFXKA-AQJFDGEUSA-N": { "inchikey": "RDMQPKIDHAFXKA-AQJFDGEUSA-N", "inchikey2D": "RDMQPKIDHAFXKA", "names": [ "(6r)-6-[(1r,3ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganoderic acid C" ], "molecular_formula": "C30H42O7", "smiles": "CC(CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0132630", "npaid": "NPA029048" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PJJIWWUPWPLBRE-UHFFFAOYSA-N": { "inchikey": "PJJIWWUPWPLBRE-UHFFFAOYSA-N", "inchikey2D": "PJJIWWUPWPLBRE", "names": [ "2-{2,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-7-hydroxy-6-methylhept-5-enoic acid" ], "molecular_formula": "C30H46O5", "smiles": "CC(=CCCC(C(=O)O)C1C(O)CC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Wolfiporia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0061498" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Wolfiporia==Wolfiporia" ] }, "FUZZWVXGSFPDMH-UHFFFAOYSA-N": { "inchikey": "FUZZWVXGSFPDMH-UHFFFAOYSA-N", "inchikey2D": "FUZZWVXGSFPDMH", "names": [ "Caproic acid", "hexanoic acid" ], "molecular_formula": "C6H12O2", "smiles": "CCCCCC(=O)O", "species": [ "Ganoderma lucidum", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "KNApSAcK", "LOTUS" ], "external_ids": { "lotus_id": "LTS0031054", "knapsack_cid": "C00001218" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NQFUSWIGRKFAHK-BDNRQGISSA-N": { "inchikey": "NQFUSWIGRKFAHK-BDNRQGISSA-N", "inchikey2D": "NQFUSWIGRKFAHK", "names": [ "(1r,2r,4s,6r)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.0²,⁴]octane" ], "molecular_formula": "C10H16O", "smiles": "CC1(C)[C@H]2C[C@@H]3O[C@]3(C)[C@@H]1C2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0031070" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HVLZHPCKWVKAQH-IRQOBONWSA-N": { "inchikey": "HVLZHPCKWVKAQH-IRQOBONWSA-N", "inchikey2D": "HVLZHPCKWVKAQH", "names": [ "(2z,5e)-2-[2-(2,5-dihydroxyphenyl)ethylidene]-6,10-dimethylundeca-5,9-dienoic acid", "Ganomycin B" ], "molecular_formula": "C21H28O4", "smiles": "CC(C)=CCC/C(C)=C/CC/C(=C/Cc1cc(O)ccc1O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0054541", "npaid": "NPA011936" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "AYWNKDXCSXDTNF-OVXGPSMNSA-N": { "inchikey": "AYWNKDXCSXDTNF-OVXGPSMNSA-N", "inchikey2D": "AYWNKDXCSXDTNF", "names": [ "(+)-cochlearoid O", "(2z,5e)-2-{2-[(1r,2s,5s)-5-(ethoxycarbonyl)-10,14-dihydroxy-2-(prop-1-en-2-yl)-6,18-dioxapentacyclo[9.7.1.1¹,⁵.0⁷,¹⁹.0¹²,¹⁷]icosa-7(19),8,10,12,14,16-hexaen-16-yl]ethylidene}-6,10-dimethylundeca-5,9-dienoic acid" ], "molecular_formula": "C39H46O8", "smiles": "C=C(C)[C@@H]1CC[C@@]2(C(=O)OCC)C[C@@]13Oc1c(C/C=C(/CC/C=C(\\C)CCC=C(C)C)C(=O)O)cc(O)cc1-c1c(O)ccc(c13)O2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0035343", "npaid": "NPA026100" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "OAHMOIXUYMVEMU-BPLWMRDMSA-N": { "inchikey": "OAHMOIXUYMVEMU-BPLWMRDMSA-N", "inchikey2D": "OAHMOIXUYMVEMU", "names": [ "(6s)-6-[(3s,3ar,4s,7s,9as,11as)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid", "Resinacein J" ], "molecular_formula": "C30H44O8", "smiles": "CC(CC(=O)C[C@](C)(O)C1=C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0062548", "npaid": "NPA023684" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "BELBTILZAXDXSJ-XKPQIJIDSA-N": { "inchikey": "BELBTILZAXDXSJ-XKPQIJIDSA-N", "inchikey2D": "BELBTILZAXDXSJ", "names": [ "(1r,3ar,5ar,9as,11ar)-1-[(2r,5e)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-7,10-dione", "Ganodecalone A" ], "molecular_formula": "C30H46O3", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0270905", "npaid": "NPA023617" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "FBUKVWPVBMHYJY-UHFFFAOYSA-N": { "inchikey": "FBUKVWPVBMHYJY-UHFFFAOYSA-N", "inchikey2D": "FBUKVWPVBMHYJY", "names": [ "nonanoic acid" ], "molecular_formula": "C9H18O2", "smiles": "CCCCCCCCC(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0269947" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "POQMIGQCVPIYKY-QDUVPPPZSA-N": { "inchikey": "POQMIGQCVPIYKY-QDUVPPPZSA-N", "inchikey2D": "POQMIGQCVPIYKY", "names": [ "(6r)-6-[(1r,3s,3ar,5ar,7s,9as,11ar)-7-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "3-O-acetylganoderic acid K" ], "molecular_formula": "C32H46O8", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1(C)C)[C@]1(C)[C@@H](O)C[C@H]([C@H](C)CC(=O)CC(C)C(=O)O)[C@@]1(C)CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0123670", "npaid": "NPA012337" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NUTLQKXDJNCAOL-UHFFFAOYSA-N": { "inchikey": "NUTLQKXDJNCAOL-UHFFFAOYSA-N", "inchikey2D": "NUTLQKXDJNCAOL", "names": [ "4-hydroxy-6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O5", "smiles": "CC(=CC(O)CC(C)C1CC(O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0137719" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "YPYHGMCHNBTMDB-MKTAQCPOSA-N": { "inchikey": "YPYHGMCHNBTMDB-MKTAQCPOSA-N", "inchikey2D": "YPYHGMCHNBTMDB", "names": [ "(2s,6s)-6-[(1s,3s,3as,5ar,7s,9ar,11as)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H46O6", "smiles": "C[C@@H](CC(=O)C[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=C(C(=O)C[C@@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0055668" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JLYHPTKRTMHIPL-UHFFFAOYSA-N": { "inchikey": "JLYHPTKRTMHIPL-UHFFFAOYSA-N", "inchikey2D": "JLYHPTKRTMHIPL", "names": [ "6-[6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O6", "smiles": "CC(CC(=O)CC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(CO)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0065716" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "AUIMRAJEISHKMP-IIYFVGFCSA-N": { "inchikey": "AUIMRAJEISHKMP-IIYFVGFCSA-N", "inchikey2D": "AUIMRAJEISHKMP", "names": [ "(6r)-6-[(1r,3ar,5ar,6s,7s,9as,11s,11ar)-11-(acetyloxy)-6-({[(3s)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy}methyl)-7-hydroxy-3a,6,9a,11a-tetramethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoleucoin Z" ], "molecular_formula": "C38H52O13", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@@H]3[C@]2(C)CC[C@H](O)[C@]3(C)COC(=O)C[C@@](C)(O)CC(=O)O)[C@]2(C)C(=O)C[C@H]([C@H](C)CCC=C(C)C(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0002587", "npaid": "NPA028212" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "KBIRYFSNYHBRLD-JKQORVJESA-N": { "inchikey": "KBIRYFSNYHBRLD-JKQORVJESA-N", "inchikey2D": "KBIRYFSNYHBRLD", "names": [ "(2s)-1-[(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-4-(c-hydroxycarbonimidoyl)butylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-3-methylbutanoyl]pyrrolidine-2-carboxylic acid", "Gln-Leu-Val-Pro" ], "molecular_formula": "C21H37N5O6", "smiles": "CC(C)C[C@H](N=C(O)[C@@H](N)CCC(=N)O)C(O)=N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0067955", "npaid": "NPA026292" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QHISNPNOLCHZEC-UHFFFAOYSA-N": { "inchikey": "QHISNPNOLCHZEC-UHFFFAOYSA-N", "inchikey2D": "QHISNPNOLCHZEC", "names": [ "4-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pent-4-enoic acid" ], "molecular_formula": "C27H38O6", "smiles": "C=C(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0004458" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "HHCQRNABFNZPFW-KLMKBIGWSA-N": { "inchikey": "HHCQRNABFNZPFW-KLMKBIGWSA-N", "inchikey2D": "HHCQRNABFNZPFW", "names": [ "(2r,6s)-6-[(1s,3ar,4s,5ar,7s,9as,11s,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid", "20-hydroxylganoderic acid G" ], "molecular_formula": "C30H44O9", "smiles": "C[C@H](CC(=O)C[C@](C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0132323", "npaid": "NPA012895" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DLIISVUQGANIBC-CRCXRKBUSA-N": { "inchikey": "DLIISVUQGANIBC-CRCXRKBUSA-N", "inchikey2D": "DLIISVUQGANIBC", "names": [ "3-[(1s,2s,5r,9s,10s,14s,17r)-17-ethyl-1,5,10-trimethyl-7,12-dioxo-9-(prop-1-en-2-yl)-16,20-dioxapentacyclo[15.2.1.0²,¹⁴.0⁵,¹⁴.0⁶,¹¹]icos-6(11)-en-10-yl]propanoic acid", "Ganoboninketal E" ], "molecular_formula": "C29H40O6", "smiles": "C=C(C)[C@@H]1CC(=O)C2=C(C(=O)C[C@]34CO[C@@]5(CC)CC[C@](C)(O5)[C@H]3CC[C@@]24C)[C@@]1(C)CCC(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0126147", "npaid": "NPA027734" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "BTYTWXWAFWKSTA-UKJPEDCSSA-N": { "inchikey": "BTYTWXWAFWKSTA-UKJPEDCSSA-N", "inchikey2D": "BTYTWXWAFWKSTA", "names": [ "(2r,6r)-6-[(1r,3ar,5as,7s,9as,11s,11ar)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganoderic acid C6" ], "molecular_formula": "C30H42O8", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0059931", "npaid": "NPA003408" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WCLWCQITMZPHAW-UHFFFAOYSA-N": { "inchikey": "WCLWCQITMZPHAW-UHFFFAOYSA-N", "inchikey2D": "WCLWCQITMZPHAW", "names": [ "1-[7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-4,7,10-trione" ], "molecular_formula": "C30H44O5", "smiles": "CC(CCC=C(CO)CO)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0272835" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "HRPBTWCAWWKHRP-MMOPVJDHSA-N": { "inchikey": "HRPBTWCAWWKHRP-MMOPVJDHSA-N", "inchikey2D": "HRPBTWCAWWKHRP", "names": [ "(6s,6as,10as)-2-hydroxy-6-methyl-6-(4-methylpent-3-en-1-yl)-6ah,7h,8h,10ah-benzo[c]isochromene-9-carboxylic acid", "(±)-dayaolingzhiol B" ], "molecular_formula": "C21H26O4", "smiles": "CC(C)=CCC[C@]1(C)Oc2ccc(O)cc2[C@H]2C=C(C(=O)O)CC[C@@H]21", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0274280", "npaid": "NPA025730" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MMVSNLKSAHIETF-IBJCVOCSSA-N": { "inchikey": "MMVSNLKSAHIETF-IBJCVOCSSA-N", "inchikey2D": "MMVSNLKSAHIETF", "names": [ "(1r,3r,9ar,9br,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-3-hydroxy-9a,11a-dimethyl-1h,2h,3h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one", "Ganodermaside B" ], "molecular_formula": "C28H40O2", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1C[C@@H](O)C2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0030085", "npaid": "NPA004081" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BKJXUOMYUFTMPD-NBQLUSTJSA-N": { "inchikey": "BKJXUOMYUFTMPD-NBQLUSTJSA-N", "inchikey2D": "BKJXUOMYUFTMPD", "names": [ "(2e,4s)-6-[(1r,3ar,7s,9as,11s,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid", "12β-acetoxyganoderic acid θ" ], "molecular_formula": "C32H44O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)CC3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@H](C(C)C[C@H](O)/C=C(\\C)C(=O)O)[C@@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0126095", "npaid": "NPA026275" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AVSUQFFHBSVWRI-NZXXOGSYSA-N": { "inchikey": "AVSUQFFHBSVWRI-NZXXOGSYSA-N", "inchikey2D": "AVSUQFFHBSVWRI", "names": [ "methyl (4r)-4-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C28H40O6", "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0059590" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HKDHXZLREQAIPY-INIZCTEOSA-N": { "inchikey": "HKDHXZLREQAIPY-INIZCTEOSA-N", "inchikey2D": "HKDHXZLREQAIPY", "names": [ "[(3r)-3-methoxy-6-(2-methoxyethyl)-2,2,7-trimethyl-1,3-dihydroinden-5-yl]methanol" ], "molecular_formula": "C17H26O3", "smiles": "COCCc1c(CO)cc2c(c1C)CC(C)(C)[C@H]2OC", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0013571" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "BLDXOUBREONOQF-IDZVCRRBSA-N": { "inchikey": "BLDXOUBREONOQF-IDZVCRRBSA-N", "inchikey2D": "BLDXOUBREONOQF", "names": [ "methyl (2r,6s)-6-[(1s,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H48O8", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@](C)(O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0006036" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XZRVRYFILCSYSP-OAHLLOKOSA-N": { "inchikey": "XZRVRYFILCSYSP-OAHLLOKOSA-N", "inchikey2D": "XZRVRYFILCSYSP", "names": [ "(-)-β-bisabolene" ], "molecular_formula": "C15H24", "smiles": "C=C(CCC=C(C)C)[C@@H]1CC=C(C)CC1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0009940" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MUFBROGJHZSIKT-HNNXBMFYSA-N": { "inchikey": "MUFBROGJHZSIKT-HNNXBMFYSA-N", "inchikey2D": "MUFBROGJHZSIKT", "names": [ "(5s)-5-(2,5-dihydroxyphenyl)-3-(4-methylpent-3-en-1-yl)-5h-furan-2-one" ], "molecular_formula": "C16H18O4", "smiles": "CC(C)=CCCC1=C[C@@H](c2cc(O)ccc2O)OC1=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0015257" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "WEKINJDEUOHVPL-UHFFFAOYSA-N": { "inchikey": "WEKINJDEUOHVPL-UHFFFAOYSA-N", "inchikey2D": "WEKINJDEUOHVPL", "names": [ "2-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-7-[2-(2,5-dihydroxyphenyl)ethylidene]-5-(1,2-dihydroxypropan-2-yl)-16-hydroxy-11,15-dimethylhexadeca-10,14-dien-6-one" ], "molecular_formula": "C51H74O7", "smiles": "CC(=CCCC(C)=CCCC(=CCc1cc(O)ccc1O)C(=O)C(CCC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)C(C)(O)CO)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0014830" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "PNSDYTZVWBPCNV-BMHSORMDSA-N": { "inchikey": "PNSDYTZVWBPCNV-BMHSORMDSA-N", "inchikey2D": "PNSDYTZVWBPCNV", "names": [ "(1s,3s,3'r,3as,4s,4''s,5's,5ar,9as,11as)-3-hydroxy-3',3a,4'',6,6,9a,11a-heptamethyl-5'',7,10-trioxo-2,3,4,5,5a,8,9,11-octahydrodispiro[cyclopenta[a]phenanthrene-1,2':5',2''-bis(oxolane)]-4-yl acetate", "Spiroganocalitone D" ], "molecular_formula": "C32H44O8", "smiles": "CC(=O)O[C@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](O)C[C@@]3(O[C@@]4(C[C@H](C)C(=O)O4)C[C@H]3C)[C@@]1(C)CC2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0007535", "npaid": "NPA023616" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "FELIGGHUKPABHF-PNQFOXGYSA-N": { "inchikey": "FELIGGHUKPABHF-PNQFOXGYSA-N", "inchikey2D": "FELIGGHUKPABHF", "names": [ "(2e,6r)-6-[(1r,3as,5as,7r,9ar,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H42O7", "smiles": "C/C(=C\\CC[C@@](C)(O)[C@@H]1CC(=O)[C@]2(C)C3=C(C(=O)C[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0016080" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HZSSXIBJQNNCMO-UHFFFAOYSA-N": { "inchikey": "HZSSXIBJQNNCMO-UHFFFAOYSA-N", "inchikey2D": "HZSSXIBJQNNCMO", "names": [ "methyl 6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O6", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0009559" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PIXCAIMOZGDGSW-CAJDEKPGSA-N": { "inchikey": "PIXCAIMOZGDGSW-CAJDEKPGSA-N", "inchikey2D": "PIXCAIMOZGDGSW", "names": [ "(5s,6s)-6-[(1r,3s,3ar,4r,5ar,9as,11ar)-3-(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid", "Ganorbiformin D" ], "molecular_formula": "C34H50O8", "smiles": "CC(=O)O[C@@H](CC=C(C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0008388", "npaid": "NPA019452" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "DYOKDAQBNHPJFD-WWWJQWLJSA-N": { "inchikey": "DYOKDAQBNHPJFD-WWWJQWLJSA-N", "inchikey2D": "DYOKDAQBNHPJFD", "names": [ "6-[(3ar,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O7", "smiles": "CC(CC(=O)CC(C)C1CC(O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0060447" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DIXZQXARJMRUPX-JQTNKRGLSA-N": { "inchikey": "DIXZQXARJMRUPX-JQTNKRGLSA-N", "inchikey2D": "DIXZQXARJMRUPX", "names": [ "(2e,6r)-6-[(1r,3s,3ar,4r,7s,9as,11ar)-3,7-bis(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoderique acid W" ], "molecular_formula": "C34H52O7", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](O)CC2C1(C)C)[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]1(C)CC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0064222", "npaid": "NPA008445" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FQVBBEDMAXTBIY-UHFFFAOYSA-N": { "inchikey": "FQVBBEDMAXTBIY-UHFFFAOYSA-N", "inchikey2D": "FQVBBEDMAXTBIY", "names": [ "3-hydroxy-3',3a,4'',6,6,9a,11a-heptamethyl-2,3,4,5,5a,8,9,11-octahydrodispiro[cyclopenta[a]phenanthrene-1,2':5',2''-bis(oxolane)]-5'',7,10-trione" ], "molecular_formula": "C30H42O6", "smiles": "CC1CC2(CC(C)C3(CC(O)C4(C)C5=C(C(=O)CC34C)C3(C)CCC(=O)C(C)(C)C3CC5)O2)OC1=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0004660" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "DOGNEMJACWRRLK-SZHQHQDOSA-N": { "inchikey": "DOGNEMJACWRRLK-SZHQHQDOSA-N", "inchikey2D": "DOGNEMJACWRRLK", "names": [ "(2e,6r)-6-[(1r,3s,3ar,4r,5ar,7r,9as,11ar)-7-(acetyloxy)-3-hydroxy-4-methoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C33H52O6", "smiles": "CO[C@@H]1C[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](O)C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0013361" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BDFOGLVGTJLHJS-UHFFFAOYSA-N": { "inchikey": "BDFOGLVGTJLHJS-UHFFFAOYSA-N", "inchikey2D": "BDFOGLVGTJLHJS", "names": [ "2-hydroxy-6,6-dimethyl-7h,8h-cyclohexa[c]chromene-9-carboxylic acid", "Ganocapenoid B" ], "molecular_formula": "C16H16O4", "smiles": "CC1(C)Oc2ccc(O)cc2C2=C1CCC(C(=O)O)=C2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0124299", "npaid": "NPA026083" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "YCXUCEXEMJPDRZ-QWPKPZHNSA-N": { "inchikey": "YCXUCEXEMJPDRZ-QWPKPZHNSA-N", "inchikey2D": "YCXUCEXEMJPDRZ", "names": [ "(2r,6s)-6-[(1r,3ar,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H44O9", "smiles": "CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@@H](C)CC(=O)C[C@@H](C)C(=O)O)[C@@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0009673" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RGIUMOMRONDUDR-UHFFFAOYSA-N": { "inchikey": "RGIUMOMRONDUDR-UHFFFAOYSA-N", "inchikey2D": "RGIUMOMRONDUDR", "names": [ "6-hydroxy-6-{7-hydroxy-6,6,10,14,18-pentamethyl-13,17-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H40O8", "smiles": "CC(CC(=O)CC(C)(O)C1=CC(=O)C2(C)C1(C)C(=O)C=C1C3(C)CCC(O)C(C)(C)C3CC3OC132)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0028871" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "VTRNTNWDQWDREE-UHFFFAOYSA-N": { "inchikey": "VTRNTNWDQWDREE-UHFFFAOYSA-N", "inchikey2D": "VTRNTNWDQWDREE", "names": [ "butyl 4-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoate" ], "molecular_formula": "C31H46O6", "smiles": "CCCCOC(=O)CCC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0002497" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LWPLEHFGBRFRKI-ALSWUMDJSA-N": { "inchikey": "LWPLEHFGBRFRKI-ALSWUMDJSA-N", "inchikey2D": "LWPLEHFGBRFRKI", "names": [ "(2r,6r)-6-[(1r,3ar,4s,5as,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O7", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0001327" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DPRVTGUHOBXEIW-BTROLZBYSA-N": { "inchikey": "DPRVTGUHOBXEIW-BTROLZBYSA-N", "inchikey2D": "DPRVTGUHOBXEIW", "names": [ "(4r)-4-[(1r,3s,3ar,4r,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H42O6", "smiles": "C[C@H](CCC(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0005879" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RMOSHOXMAZYZOK-UHFFFAOYSA-N": { "inchikey": "RMOSHOXMAZYZOK-UHFFFAOYSA-N", "inchikey2D": "RMOSHOXMAZYZOK", "names": [ "6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enal" ], "molecular_formula": "C30H46O2", "smiles": "CC(C=O)=CCCC(C)C1CCC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0027866" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YRPVBKCQZMDBTJ-ZCRGRYSKSA-N": { "inchikey": "YRPVBKCQZMDBTJ-ZCRGRYSKSA-N", "inchikey2D": "YRPVBKCQZMDBTJ", "names": [ "methyl (4r)-4-[(1r,3ar,5ar,6r,7s,9as,11ar)-7-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C28H40O7", "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0010773" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZSJNLSFWYLWTHK-WKEZUKLNSA-N": { "inchikey": "ZSJNLSFWYLWTHK-WKEZUKLNSA-N", "inchikey2D": "ZSJNLSFWYLWTHK", "names": [ "(3s,5r)-5-[(1s)-1-[(1r,3ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]ethyl]-2,2-dimethyloxolan-3-ol" ], "molecular_formula": "C30H48O3", "smiles": "C[C@H]([C@H]1C[C@H](O)C(C)(C)O1)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0002201" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "AJWHGXHFEQATTC-SGZQBHBWSA-N": { "inchikey": "AJWHGXHFEQATTC-SGZQBHBWSA-N", "inchikey2D": "AJWHGXHFEQATTC", "names": [ "(2s,6s)-6-[(1s,3s,5r,7s,10s,14r,17r,18s)-7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O8", "smiles": "C[C@@H](CC(=O)C[C@](C)(O)C1=C[C@@H](O)[C@@]2(C)[C@]34O[C@H]3C[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)C4=CC(=O)[C@]12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0126559" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "KGELVXQPIUKGCO-SPPZYOJVSA-N": { "inchikey": "KGELVXQPIUKGCO-SPPZYOJVSA-N", "inchikey2D": "KGELVXQPIUKGCO", "names": [ "(2e,6r)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H48O3", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0059046" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KSJXBRQBEVKVDR-RSCSFWRXSA-N": { "inchikey": "KSJXBRQBEVKVDR-RSCSFWRXSA-N", "inchikey2D": "KSJXBRQBEVKVDR", "names": [ "Resinacein Q", "methyl (6r)-6-[(1r,3ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O8", "smiles": "COC(=O)C(C)C(O)C(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0012293", "npaid": "NPA023691" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "VCCZNZDGMFCWPD-QGTPRVQTSA-N": { "inchikey": "VCCZNZDGMFCWPD-QGTPRVQTSA-N", "inchikey2D": "VCCZNZDGMFCWPD", "names": [ "(-)-applanatumol E", "(3ar,4s,6as)-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3a-(dimethoxymethyl)-4-hydroxy-tetrahydrocyclopenta[c]furan-1-one" ], "molecular_formula": "C18H22O8", "smiles": "COC(OC)[C@@]12COC(=O)[C@]1(CC(=O)c1cc(O)ccc1O)CC[C@@H]2O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0011894", "npaid": "NPA017089" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "GYRDSOABOBCYST-HFAARYGVSA-N": { "inchikey": "GYRDSOABOBCYST-HFAARYGVSA-N", "inchikey2D": "GYRDSOABOBCYST", "names": [ "(4r)-4-[(1r,3ar,4s,5ar,9as,11s,11ar)-4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H38O7", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0010846" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HOOKULHKMWTXDO-UHFFFAOYSA-N": { "inchikey": "HOOKULHKMWTXDO-UHFFFAOYSA-N", "inchikey2D": "HOOKULHKMWTXDO", "names": [ "5-(acetyloxy)-6-{7-hydroxy-4-methoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C33H52O6", "smiles": "COC1CC2C(C)(CCC(O)C2(C)C)C2=C1C1(C)CCC(C(C)C(CC=C(C)C(=O)O)OC(C)=O)C1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0004790" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KXYWXCIDKNDYTK-CLTBRFKRSA-N": { "inchikey": "KXYWXCIDKNDYTK-CLTBRFKRSA-N", "inchikey2D": "KXYWXCIDKNDYTK", "names": [ "methyl (2r,6r)-6-[(1r,3ar,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C33H46O9", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0064142" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DPRVTGUHOBXEIW-UHFFFAOYSA-N": { "inchikey": "DPRVTGUHOBXEIW-UHFFFAOYSA-N", "inchikey2D": "DPRVTGUHOBXEIW", "names": [ "4-{3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoic acid" ], "molecular_formula": "C27H42O6", "smiles": "CC(CCC(=O)O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0030291" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AHWOEMBXZXGDBQ-RZMZPBGPSA-N": { "inchikey": "AHWOEMBXZXGDBQ-RZMZPBGPSA-N", "inchikey2D": "AHWOEMBXZXGDBQ", "names": [ "(1r,3ar,5ar,9as,9br,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C28H44O", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Ganoderma", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0056151" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "ZSJNLSFWYLWTHK-YREZXSGFSA-N": { "inchikey": "ZSJNLSFWYLWTHK-YREZXSGFSA-N", "inchikey2D": "ZSJNLSFWYLWTHK", "names": [ "(3s,5s)-5-[(1s)-1-[(1r,3ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]ethyl]-2,2-dimethyloxolan-3-ol", "Ganoderchochlearin B" ], "molecular_formula": "C30H48O3", "smiles": "C[C@H]([C@@H]1C[C@H](O)C(C)(C)O1)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0012603", "npaid": "NPA012377" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "DXEHRWQCQGZTQA-UHFFFAOYSA-N": { "inchikey": "DXEHRWQCQGZTQA-UHFFFAOYSA-N", "inchikey2D": "DXEHRWQCQGZTQA", "names": [ "methyl 2-methyl-4-oxo-6-{3,4,7-trihydroxy-6,6,9a,11a-tetramethyl-10-oxo-1h,2h,3h,3ah,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}heptanoate" ], "molecular_formula": "C30H46O7", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC(O)C2C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0066175" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LPWWIRLWNQPIDU-KOIRHOSXSA-N": { "inchikey": "LPWWIRLWNQPIDU-KOIRHOSXSA-N", "inchikey2D": "LPWWIRLWNQPIDU", "names": [ "7β-hydroxy-3,11,15,23-tetraoxolanosta-8,20E(22)-dien-26-oic acid methyl ester", "methyl (5e)-6-[(1s,3as,4r,5as,9ar,11as)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoate" ], "molecular_formula": "C31H42O7", "smiles": "COC(=O)C(C)CC(=O)/C=C(\\C)[C@@H]1CC(=O)[C@]2(C)C3=C(C(=O)C[C@@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0014607", "npaid": "NPA013459" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "DHGMYNLRIYMOGS-ZWETUDJHSA-N": { "inchikey": "DHGMYNLRIYMOGS-ZWETUDJHSA-N", "inchikey2D": "DHGMYNLRIYMOGS", "names": [ "Ganoderone C", "ganoderone c" ], "molecular_formula": "C30H46O4", "smiles": "C[C@H](CCC1OC1(C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0137642", "npaid": "NPA010105" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "WUOZOSFJWTXTKG-UHFFFAOYSA-N": { "inchikey": "WUOZOSFJWTXTKG-UHFFFAOYSA-N", "inchikey2D": "WUOZOSFJWTXTKG", "names": [ "4-(5,5-dimethylcyclopent-1-en-1-yl)-1,4-dimethylcyclohex-1-ene" ], "molecular_formula": "C15H24", "smiles": "CC1=CCC(C)(C2=CCCC2(C)C)CC1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0018341" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "INRKRFBQMVZPSW-UHFFFAOYSA-N": { "inchikey": "INRKRFBQMVZPSW-UHFFFAOYSA-N", "inchikey2D": "INRKRFBQMVZPSW", "names": [ "6-hydroxy-6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O8", "smiles": "CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0023864" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "TVLLLIMEZXBDHC-WZQFDMENSA-N": { "inchikey": "TVLLLIMEZXBDHC-WZQFDMENSA-N", "inchikey2D": "TVLLLIMEZXBDHC", "names": [ "(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2s,5s,6s)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one" ], "molecular_formula": "C30H50O5", "smiles": "C[C@@H](CC[C@H](O)[C@@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0058964" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SDAWCNCFVWQZDP-ZOHCQILNSA-N": { "inchikey": "SDAWCNCFVWQZDP-ZOHCQILNSA-N", "inchikey2D": "SDAWCNCFVWQZDP", "names": [ "(1r,3ar,5as,9as,11ar)-1-[(2r,5e)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-4,7-dione" ], "molecular_formula": "C30H46O3", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O)CO", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0014399" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "FRRMMEJOPQSLSE-UHFFFAOYSA-N": { "inchikey": "FRRMMEJOPQSLSE-UHFFFAOYSA-N", "inchikey2D": "FRRMMEJOPQSLSE", "names": [ "5-(acetyloxy)-6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H48O5", "smiles": "CC(=O)OC(CC=C(C)C(=O)O)C(C)C1CCC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0015956" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KNLDCVVYBDMCGK-FCHFMIQBSA-N": { "inchikey": "KNLDCVVYBDMCGK-FCHFMIQBSA-N", "inchikey2D": "KNLDCVVYBDMCGK", "names": [ "(5s,6s)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid", "Ganorbiformin G" ], "molecular_formula": "C32H46O5", "smiles": "CC(=O)O[C@@H](CC=C(C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0006894", "npaid": "NPA008866" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "AOXXVRDKZLRGTJ-HYXDKKGBSA-N": { "inchikey": "AOXXVRDKZLRGTJ-HYXDKKGBSA-N", "inchikey2D": "AOXXVRDKZLRGTJ", "names": [ "(1s,3ar,5ar,7s,9as,11ar)-1-[(2s,5e)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C30H48O2", "smiles": "C/C(=C\\CC[C@H](C)[C@@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0018827" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VZYPWBVGOUSGOD-KEUIGMMSSA-N": { "inchikey": "VZYPWBVGOUSGOD-KEUIGMMSSA-N", "inchikey2D": "VZYPWBVGOUSGOD", "names": [ "methyl (4r)-4-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C28H42O5", "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0265412" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QRWTVFKEWNICIM-UHFFFAOYSA-N": { "inchikey": "QRWTVFKEWNICIM-UHFFFAOYSA-N", "inchikey2D": "QRWTVFKEWNICIM", "names": [ "3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(2-methylprop-1-en-1-yl)oxolan-2-one" ], "molecular_formula": "C16H18O5", "smiles": "CC(C)=CC1CC(CC(=O)c2cc(O)ccc2O)C(=O)O1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0266534" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XHAIZAIMQFIIRF-GDZNZVCISA-N": { "inchikey": "XHAIZAIMQFIIRF-GDZNZVCISA-N", "inchikey2D": "XHAIZAIMQFIIRF", "names": [ "Spiroapplanatumine O", "methyl (2r,2'r,5's)-5-hydroxy-3-oxo-5'-(3-oxoprop-1-en-2-yl)spiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylate" ], "molecular_formula": "C17H16O6", "smiles": "C=C(C=O)[C@@H]1CC[C@@H](C(=O)OC)[C@]12Oc1ccc(O)cc1C2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0018820", "npaid": "NPA022128" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "CYIDHGULAFNHLR-CGMRBEOHSA-N": { "inchikey": "CYIDHGULAFNHLR-CGMRBEOHSA-N", "inchikey2D": "CYIDHGULAFNHLR", "names": [ "butyl (4r)-4-[(1r,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate", "n-Butyl lucidenate N" ], "molecular_formula": "C31H50O5", "smiles": "CCCCOC(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0001345", "npaid": "NPA008336" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QPYCCRUSLVZJCE-FPGSQMRWSA-N": { "inchikey": "QPYCCRUSLVZJCE-FPGSQMRWSA-N", "inchikey2D": "QPYCCRUSLVZJCE", "names": [ "(2e,4e)-8-(2,5-dihydroxyphenyl)-2-methyl-8-oxoocta-2,4-dienal", "Lucidumin A" ], "molecular_formula": "C15H16O4", "smiles": "C/C(C=O)=C\\C=C\\CCC(=O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0003996", "npaid": "NPA026928" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OVLBITNHMRRIBT-UHFFFAOYSA-N": { "inchikey": "OVLBITNHMRRIBT-UHFFFAOYSA-N", "inchikey2D": "OVLBITNHMRRIBT", "names": [ "6-{3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-4-hydroxy-2-methylheptanoic acid" ], "molecular_formula": "C30H46O7", "smiles": "CC(CC(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0000443" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RMRKJRDHXPFMFC-RDJHCISDSA-N": { "inchikey": "RMRKJRDHXPFMFC-RDJHCISDSA-N", "inchikey2D": "RMRKJRDHXPFMFC", "names": [ "(+)-chizhine E", "(2e)-5-[(5r)-5-(2,5-dihydroxyphenyl)-2-oxo-5h-furan-3-yl]-2-methylpent-2-enal" ], "molecular_formula": "C16H16O5", "smiles": "C/C(C=O)=C\\CCC1=C[C@H](c2cc(O)ccc2O)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0259589", "npaid": "NPA006608" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PLGMDEYIMRPUAI-JTNHKYCSSA-N": { "inchikey": "PLGMDEYIMRPUAI-JTNHKYCSSA-N", "inchikey2D": "PLGMDEYIMRPUAI", "names": [ "(+)-applanatumol V", "(1r,2r,3s)-2-(2,5-dihydroxybenzoyl)-3-(3-oxoprop-1-en-2-yl)cyclopentane-1-carboxylic acid" ], "molecular_formula": "C16H16O6", "smiles": "C=C(C=O)[C@H]1CC[C@@H](C(=O)O)[C@@H]1C(=O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0013173", "npaid": "NPA004774" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "POULHZVOKOAJMA-UHFFFAOYSA-N": { "inchikey": "POULHZVOKOAJMA-UHFFFAOYSA-N", "inchikey2D": "POULHZVOKOAJMA", "names": [ "Lauric acid", "lauric acid" ], "molecular_formula": "C12H24O2", "smiles": "CCCCCCCCCCCC(=O)O", "species": [ "Ganoderma lucidum", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "KNApSAcK", "LOTUS" ], "external_ids": { "lotus_id": "LTS0051907", "knapsack_cid": "C00001221" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FKTBPUPWFHCNQN-LSTHTHJFSA-N": { "inchikey": "FKTBPUPWFHCNQN-LSTHTHJFSA-N", "inchikey2D": "FKTBPUPWFHCNQN", "names": [ "(+)-applanatumol G", "(3as,4r,6ar)-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3a-(dimethoxymethyl)-4-ethoxy-tetrahydrocyclopenta[c]furan-1-one" ], "molecular_formula": "C20H26O8", "smiles": "CCO[C@@H]1CC[C@]2(CC(=O)c3cc(O)ccc3O)C(=O)OC[C@]12C(OC)OC", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0016729", "npaid": "NPA011816" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "LHNXBUCEMMCNGA-UHFFFAOYSA-N": { "inchikey": "LHNXBUCEMMCNGA-UHFFFAOYSA-N", "inchikey2D": "LHNXBUCEMMCNGA", "names": [ "methyl 6-{4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoate" ], "molecular_formula": "C31H42O8", "smiles": "COC(=O)C(C)CC(=O)C=C(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0121589" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RLJNNMVBYZTJLR-UHFFFAOYSA-N": { "inchikey": "RLJNNMVBYZTJLR-UHFFFAOYSA-N", "inchikey2D": "RLJNNMVBYZTJLR", "names": [ "2,13,13,16-tetramethyl-6,12,14-trioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),2,8-trien-7-one" ], "molecular_formula": "C18H22O4", "smiles": "Cc1c2c(cc3c1CC1(C)COC(C)(C)OC31)C(=O)OCC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0001386" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "RMMGFHLTEHSSDK-LBLQVSIUSA-N": { "inchikey": "RMMGFHLTEHSSDK-LBLQVSIUSA-N", "inchikey2D": "RMMGFHLTEHSSDK", "names": [ "(2s,3s,6r)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-1-(acetyloxy)-2-hydroxy-2-methylheptan-3-yl acetate" ], "molecular_formula": "C36H56O7", "smiles": "CC(=O)OC[C@](C)(O)[C@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)OC(C)=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0001512" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "BKXWDIMPBHNMLN-MGBSGCIJSA-N": { "inchikey": "BKXWDIMPBHNMLN-MGBSGCIJSA-N", "inchikey2D": "BKXWDIMPBHNMLN", "names": [ "(+)-applanatumol D", "(1r,5r,8s,11r)-5-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-11-hydroxy-3,9-dioxatricyclo[6.3.0.0¹,⁵]undecane-4,10-dione" ], "molecular_formula": "C17H16O8", "smiles": "O=C(C[C@]12CC[C@@H]3OC(=O)[C@H](O)[C@@]31COC2=O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0010275", "npaid": "NPA015887" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "CWKRZZXKJFNDBT-XEMZTADASA-N": { "inchikey": "CWKRZZXKJFNDBT-XEMZTADASA-N", "inchikey2D": "CWKRZZXKJFNDBT", "names": [ "Resinacein I", "methyl (6r)-6-[(3s,3ar,4s,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O7", "smiles": "COC(=O)C(C)CC(=O)C[C@@H](C)C1=C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0010047", "npaid": "NPA023683" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "TXSOHFJAYYPXHN-MJUUVYJYSA-N": { "inchikey": "TXSOHFJAYYPXHN-MJUUVYJYSA-N", "inchikey2D": "TXSOHFJAYYPXHN", "names": [ "(+)-cochlearol B", "(1s,9s,12s,13s)-4-hydroxy-9,18,18-trimethyl-8-oxapentacyclo[10.5.1.0¹,¹³.0²,⁷.0⁹,¹³]octadeca-2,4,6,16-tetraene-16-carbaldehyde" ], "molecular_formula": "C21H24O3", "smiles": "CC1(C)[C@@H]2CC[C@]3(C)Oc4ccc(O)cc4[C@]14C=C(C=O)CC[C@@]234", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0010970", "npaid": "NPA015069" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "LNODMNUGJTVKST-ODSMEWKMSA-N": { "inchikey": "LNODMNUGJTVKST-ODSMEWKMSA-N", "inchikey2D": "LNODMNUGJTVKST", "names": [ "methyl (6r)-6-[(1r,3ar,4s,5ar,9as,10s,11ar)-4,10-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7-dioxo-1h,2h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O7", "smiles": "COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C([C@@H](O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0052499" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XOWZEGQXFDYEEB-UHFFFAOYSA-N": { "inchikey": "XOWZEGQXFDYEEB-UHFFFAOYSA-N", "inchikey2D": "XOWZEGQXFDYEEB", "names": [ "6-{7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H40O8", "smiles": "CC(CC(=O)CC(C)C1=CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0013469" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "WUOZOSFJWTXTKG-HNNXBMFYSA-N": { "inchikey": "WUOZOSFJWTXTKG-HNNXBMFYSA-N", "inchikey2D": "WUOZOSFJWTXTKG", "names": [ "(4r)-4-(5,5-dimethylcyclopent-1-en-1-yl)-1,4-dimethylcyclohex-1-ene" ], "molecular_formula": "C15H24", "smiles": "CC1=CC[C@](C)(C2=CCCC2(C)C)CC1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0013315" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UAFWFNZQRZDPMO-UHFFFAOYSA-N": { "inchikey": "UAFWFNZQRZDPMO-UHFFFAOYSA-N", "inchikey2D": "UAFWFNZQRZDPMO", "names": [ "2-{3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}propanoic acid" ], "molecular_formula": "C25H32O6", "smiles": "CC(C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0010176" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GEWDLXCYSDFOOV-UHFFFAOYSA-N": { "inchikey": "GEWDLXCYSDFOOV-UHFFFAOYSA-N", "inchikey2D": "GEWDLXCYSDFOOV", "names": [ "2,6a-dihydroxy-6-methyl-6-(4-methylpent-3-en-1-yl)-7h,8h-benzo[c]isochromen-9-one" ], "molecular_formula": "C20H24O4", "smiles": "CC(C)=CCCC1(C)Oc2ccc(O)cc2C2=CC(=O)CCC21O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0003158" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "FITOAVMOYDFMJJ-WMKAGDOUSA-N": { "inchikey": "FITOAVMOYDFMJJ-WMKAGDOUSA-N", "inchikey2D": "FITOAVMOYDFMJJ", "names": [ "(2s,6r)-6-[(1s,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxohexanoic acid" ], "molecular_formula": "C29H42O8", "smiles": "C[C@@H](CC(=O)C[C@@H](O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0011678" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VPMBQAULVONHEM-UHFFFAOYSA-N": { "inchikey": "VPMBQAULVONHEM-UHFFFAOYSA-N", "inchikey2D": "VPMBQAULVONHEM", "names": [ "6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-3a-(hydroxymethyl)-tetrahydrocyclopenta[c]furan-1-one" ], "molecular_formula": "C16H18O7", "smiles": "O=C(CC12CCC(O)C1(CO)COC2=O)c1cc(O)ccc1O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0010653" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "ZHZRHASCKKRCIY-UHFFFAOYSA-N": { "inchikey": "ZHZRHASCKKRCIY-UHFFFAOYSA-N", "inchikey2D": "ZHZRHASCKKRCIY", "names": [ "4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-1-(2-methyl-5-oxooxolan-2-yl)-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-3,7,10-trione" ], "molecular_formula": "C27H36O7", "smiles": "CC1(C2CC(=O)C3(C)C4=C(C(=O)C(O)C23C)C2(C)CCC(=O)C(C)(C)C2CC4O)CCC(=O)O1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0012638" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UPFROXHCAPHGNO-UHFFFAOYSA-N": { "inchikey": "UPFROXHCAPHGNO-UHFFFAOYSA-N", "inchikey2D": "UPFROXHCAPHGNO", "names": [ "methyl 6-{4,4,8,12,17,17,20-heptamethyl-5,10-dioxo-16,18-dioxapentacyclo[10.6.2.0³,⁸.0⁹,¹⁹.0¹⁵,²⁰]icos-9(19)-en-13-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C34H50O7", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC2OC(C)(C)OC3CC4C(C)(C)C(=O)CCC4(C)C4=C3C2(C)C1(C)CC4=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0123123" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XMBMRJGNNOUNJL-UHFFFAOYSA-N": { "inchikey": "XMBMRJGNNOUNJL-UHFFFAOYSA-N", "inchikey2D": "XMBMRJGNNOUNJL", "names": [ "4,6-dihydroxy-6-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylheptanoic acid" ], "molecular_formula": "C30H44O8", "smiles": "CC(CC(O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0010803" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "AFCITBAGIYUEPK-OLLLRAMTSA-N": { "inchikey": "AFCITBAGIYUEPK-OLLLRAMTSA-N", "inchikey2D": "AFCITBAGIYUEPK", "names": [ "(1r,2s)-1-{[(1s,4as,8ar)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}propane-1,2,3-tricarboxylic acid" ], "molecular_formula": "C21H32O7", "smiles": "C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CO[C@@H](C(=O)O)[C@H](CC(=O)O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0003452" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "SSISLAMFCZQHEH-NMODWNLVSA-N": { "inchikey": "SSISLAMFCZQHEH-NMODWNLVSA-N", "inchikey2D": "SSISLAMFCZQHEH", "names": [ "(2e,5s,6r)-6-[(1r,3s,3ar,4r,5ar,7r,9as,11ar)-7-(acetyloxy)-3-hydroxy-4-methoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C35H54O8", "smiles": "CO[C@@H]1C[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](O)C[C@H]([C@@H](C)[C@H](C/C=C(\\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0009897" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "TXSOHFJAYYPXHN-UHFFFAOYSA-N": { "inchikey": "TXSOHFJAYYPXHN-UHFFFAOYSA-N", "inchikey2D": "TXSOHFJAYYPXHN", "names": [ "4-hydroxy-9,18,18-trimethyl-8-oxapentacyclo[10.5.1.0¹,¹³.0²,⁷.0⁹,¹³]octadeca-2,4,6,16-tetraene-16-carbaldehyde" ], "molecular_formula": "C21H24O3", "smiles": "CC12CCC3C(C)(C)C4(C=C(C=O)CCC314)c1cc(O)ccc1O2", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0010830" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "YENKFKJTSHOLIL-JRNZOTRXSA-N": { "inchikey": "YENKFKJTSHOLIL-JRNZOTRXSA-N", "inchikey2D": "YENKFKJTSHOLIL", "names": [ "(5s,6s)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid", "Ganorbiformin C" ], "molecular_formula": "C32H48O6", "smiles": "CC(=O)O[C@@H](CC=C(C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0265013", "npaid": "NPA007451" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "VMEFPSOTFFVAQJ-OBGNTNONSA-N": { "inchikey": "VMEFPSOTFFVAQJ-OBGNTNONSA-N", "inchikey2D": "VMEFPSOTFFVAQJ", "names": [ "Ganoderiol A", "ganoderiol a" ], "molecular_formula": "C30H50O4", "smiles": "C[C@H](CC[C@H](O)C(C)(O)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0005358", "npaid": "NPA008309" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "GBFBBVYGZAABTI-LEEGDDNGSA-N": { "inchikey": "GBFBBVYGZAABTI-LEEGDDNGSA-N", "inchikey2D": "GBFBBVYGZAABTI", "names": [ "methyl (6r)-6-[(1r,3s,3ar,4s,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O7", "smiles": "COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0014020" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FWDQERNWSKUHAW-PDWWPXIASA-N": { "inchikey": "FWDQERNWSKUHAW-PDWWPXIASA-N", "inchikey2D": "FWDQERNWSKUHAW", "names": [ "3β-hydroxyganodernoid D", "6-[(3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-ylidene]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H40O7", "smiles": "CC(CC(=O)CC(C)C(=O)O)=C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0015557", "npaid": "NPA010243" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AXCFVOYLKCXFOU-KDPHSGHTSA-N": { "inchikey": "AXCFVOYLKCXFOU-KDPHSGHTSA-N", "inchikey2D": "AXCFVOYLKCXFOU", "names": [ "(-)-cochlearoid P", "(2z,5e)-2-{2-[(1r,2s,5s)-5-(ethoxycarbonyl)-10,14-dihydroxy-2-(prop-1-en-2-yl)-6,18-dioxapentacyclo[9.7.1.1¹,⁵.0⁷,¹⁹.0¹²,¹⁷]icosa-7(19),8,10,12,14,16-hexaen-15-yl]ethylidene}-6,10-dimethylundeca-5,9-dienoic acid" ], "molecular_formula": "C39H46O8", "smiles": "C=C(C)[C@@H]1CC[C@@]2(C(=O)OCC)C[C@@]13Oc1cc(C/C=C(/CC/C=C(\\C)CCC=C(C)C)C(=O)O)c(O)cc1-c1c(O)ccc(c13)O2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0016401", "npaid": "NPA026104" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "QWFPQDGDUOGOJF-FMJOPOJPSA-N": { "inchikey": "QWFPQDGDUOGOJF-FMJOPOJPSA-N", "inchikey2D": "QWFPQDGDUOGOJF", "names": [ "(1r,3ar,5as,9as,11ar)-1-[(2r,5e)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H46O2", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)CO", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0016004" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "SFRPCICFHIWKRP-UHFFFAOYSA-N": { "inchikey": "SFRPCICFHIWKRP-UHFFFAOYSA-N", "inchikey2D": "SFRPCICFHIWKRP", "names": [ "5-(2-{10-hydroxy-4,4,6b,10,11b-pentamethyl-3-oxo-1h,2h,4ah,5h,6h,7h,8h,9h,10ah,11h-cyclohexa[a]fluoren-9-yl}propylidene)-3-methylfuran-2-one" ], "molecular_formula": "C30H42O4", "smiles": "CC1=CC(=CC(C)C2CCC3(C)C4=C(CC3C2(C)O)C2(C)CCC(=O)C(C)(C)C2CC4)OC1=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0264352" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FGUBEKCWBCCEIB-CHJLPVETSA-N": { "inchikey": "FGUBEKCWBCCEIB-CHJLPVETSA-N", "inchikey2D": "FGUBEKCWBCCEIB", "names": [ "(2s,5e)-6-[(1s,3s,5r,10s,14r,15r,17s,18s)-17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl]-2-methyl-4-oxohept-5-enoic acid", "Gibbosic acid N" ], "molecular_formula": "C30H40O7", "smiles": "C/C(=C\\C(=O)C[C@H](C)C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)[C@]34O[C@H]3C[C@H]3C(C)(C)C(=O)CC[C@]3(C)C4=CC(=O)[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0013493", "npaid": "NPA025428" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "IONXFEJSBGBYFB-MFUTUDLPSA-N": { "inchikey": "IONXFEJSBGBYFB-MFUTUDLPSA-N", "inchikey2D": "IONXFEJSBGBYFB", "names": [ "(2s,6r)-6-[(1r,3r,3ar,5ar,6r,9as,11ar)-3-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganohainanic acid A" ], "molecular_formula": "C30H42O8", "smiles": "C[C@@H](CC(=O)C[C@@H](C)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0008571", "npaid": "NPA008220" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "SYGBPRPDXGNGOW-MGRGHEBLSA-N": { "inchikey": "SYGBPRPDXGNGOW-MGRGHEBLSA-N", "inchikey2D": "SYGBPRPDXGNGOW", "names": [ "Methyl lucidenate L", "methyl 4-[(1r,3s,3ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C28H40O6", "smiles": "COC(=O)CCC(C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0012825", "npaid": "NPA026272" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KGELVXQPIUKGCO-BOSKRLFKSA-N": { "inchikey": "KGELVXQPIUKGCO-BOSKRLFKSA-N", "inchikey2D": "KGELVXQPIUKGCO", "names": [ "(2e,6r)-6-[(1r,3ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoderique acid Z" ], "molecular_formula": "C30H48O3", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0013313", "npaid": "NPA013217" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BYRGJKZMDMBDDL-UHFFFAOYSA-N": { "inchikey": "BYRGJKZMDMBDDL-UHFFFAOYSA-N", "inchikey2D": "BYRGJKZMDMBDDL", "names": [ "3,4,7-trihydroxy-1-(6-hydroxy-4-oxoheptan-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-10-one" ], "molecular_formula": "C29H46O6", "smiles": "CC(O)CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0084027" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "VYCVQRQGZNGHFR-UHFFFAOYSA-N": { "inchikey": "VYCVQRQGZNGHFR-UHFFFAOYSA-N", "inchikey2D": "VYCVQRQGZNGHFR", "names": [ "methyl 6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H42O7", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1=CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0257574" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "XITBGHDSLKRVMR-UHFFFAOYSA-N": { "inchikey": "XITBGHDSLKRVMR-UHFFFAOYSA-N", "inchikey2D": "XITBGHDSLKRVMR", "names": [ "6-[3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O7", "smiles": "CC(=O)OC1CCC2(C)C3=CCC4(C)C(C(C)C(O)CC=C(C)C(=O)O)CC(OC(C)=O)C4(C)C3=CCC2C1(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0217281" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LWPLEHFGBRFRKI-DUEUHSNMSA-N": { "inchikey": "LWPLEHFGBRFRKI-DUEUHSNMSA-N", "inchikey2D": "LWPLEHFGBRFRKI", "names": [ "6-[(1r,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "Ganoderic acid B" ], "molecular_formula": "C30H44O7", "smiles": "CC(CC(=O)CC(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0256763", "npaid": "NPA008073" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "FMWDHZPVFRVQMU-OAHLLOKOSA-N": { "inchikey": "FMWDHZPVFRVQMU-OAHLLOKOSA-N", "inchikey2D": "FMWDHZPVFRVQMU", "names": [ "(+)-applanatumol U", "(5r)-5-(2,5-dihydroxyphenyl)-3-(5-hydroxy-4-methylpent-3-en-1-yl)-5h-furan-2-one" ], "molecular_formula": "C16H18O5", "smiles": "CC(=CCCC1=C[C@H](c2cc(O)ccc2O)OC1=O)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0032100", "npaid": "NPA017696" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "SDFJPBYTEBEOLV-GUYCJALGSA-N": { "inchikey": "SDFJPBYTEBEOLV-GUYCJALGSA-N", "inchikey2D": "SDFJPBYTEBEOLV", "names": [ "Spiroapplanatumine I", "methyl (2s,7'r)-3'-formyl-5-hydroxy-3-oxospiro[1-benzofuran-2,1'-cycloheptan]-3'-ene-7'-carboxylate" ], "molecular_formula": "C17H16O6", "smiles": "COC(=O)[C@@H]1CCC=C(C=O)C[C@]12Oc1ccc(O)cc1C2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0006505", "npaid": "NPA022140" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "RJBCIJBIKBHZMX-YSGIITALSA-N": { "inchikey": "RJBCIJBIKBHZMX-YSGIITALSA-N", "inchikey2D": "RJBCIJBIKBHZMX", "names": [ "3,4,5-trihydroxyoxan-2-yl (2r,4z)-2-[(1r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylhepta-4,6-dienoate", "Tsugarioside B" ], "molecular_formula": "C38H58O8", "smiles": "C=C(C)/C(C)=C\\C[C@@H](C(=O)OC1OCC(O)C(O)C1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0114011", "npaid": "NPA001861" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "INRKRFBQMVZPSW-UPPFNHCMSA-N": { "inchikey": "INRKRFBQMVZPSW-UPPFNHCMSA-N", "inchikey2D": "INRKRFBQMVZPSW", "names": [ "6-[(1s,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid", "Ganoderic acid AP3" ], "molecular_formula": "C30H42O8", "smiles": "CC(CC(=O)CC(C)(O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0016300", "npaid": "NPA018877" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "FITOAVMOYDFMJJ-UHFFFAOYSA-N": { "inchikey": "FITOAVMOYDFMJJ-UHFFFAOYSA-N", "inchikey2D": "FITOAVMOYDFMJJ", "names": [ "6-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methyl-4-oxohexanoic acid" ], "molecular_formula": "C29H42O8", "smiles": "CC(CC(=O)CC(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0078953" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KKOBUWSLPYWAMP-UHFFFAOYSA-N": { "inchikey": "KKOBUWSLPYWAMP-UHFFFAOYSA-N", "inchikey2D": "KKOBUWSLPYWAMP", "names": [ "4-[11a-(acetyloxy)-3a,6,6,9a-tetramethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxypentanoic acid" ], "molecular_formula": "C28H36O9", "smiles": "CC(=O)OC12CC(=O)C3=C(C(=O)CC4C(C)(C)C(=O)CCC34C)C1(C)C(=O)CC2C(C)(O)CCC(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0259127" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PNSDYTZVWBPCNV-UHFFFAOYSA-N": { "inchikey": "PNSDYTZVWBPCNV-UHFFFAOYSA-N", "inchikey2D": "PNSDYTZVWBPCNV", "names": [ "3-hydroxy-3',3a,4'',6,6,9a,11a-heptamethyl-5'',7,10-trioxo-2,3,4,5,5a,8,9,11-octahydrodispiro[cyclopenta[a]phenanthrene-1,2':5',2''-bis(oxolane)]-4-yl acetate" ], "molecular_formula": "C32H44O8", "smiles": "CC(=O)OC1CC2C(C)(C)C(=O)CCC2(C)C2=C1C1(C)C(O)CC3(OC4(CC(C)C(=O)O4)CC3C)C1(C)CC2=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0016324" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "AOXXVRDKZLRGTJ-WTVIHVRUSA-N": { "inchikey": "AOXXVRDKZLRGTJ-WTVIHVRUSA-N", "inchikey2D": "AOXXVRDKZLRGTJ", "names": [ "(1r,3ar,5as,7s,9as,11ar)-1-[(2r,5e)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C30H48O2", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0223525" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WWZKQHOCKIZLMA-UHFFFAOYSA-N": { "inchikey": "WWZKQHOCKIZLMA-UHFFFAOYSA-N", "inchikey2D": "WWZKQHOCKIZLMA", "names": [ "Octanoic acid", "caprylic acid" ], "molecular_formula": "C8H16O2", "smiles": "CCCCCCCC(=O)O", "species": [ "Ganoderma lucidum", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "KNApSAcK", "LOTUS" ], "external_ids": { "lotus_id": "LTS0254176", "knapsack_cid": "C00001231" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "APQUUNCMRUQJLX-UHFFFAOYSA-N": { "inchikey": "APQUUNCMRUQJLX-UHFFFAOYSA-N", "inchikey2D": "APQUUNCMRUQJLX", "names": [ "3,6-dihydroxy-8-oxo-14,16-dioxatetracyclo[11.2.1.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-10-carboxylic acid" ], "molecular_formula": "C15H14O7", "smiles": "O=C1CC2(C(=O)O)CCC3OCC2(O3)c2c(O)ccc(O)c21", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0113060" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "YZRRQQNUNMTEDB-BJLXDENQSA-N": { "inchikey": "YZRRQQNUNMTEDB-BJLXDENQSA-N", "inchikey2D": "YZRRQQNUNMTEDB", "names": [ "(1s,3s,5r,7s,10s,14r,15s,17r,18s)-15-acetyl-7,17-dihydroxy-6,6,10,14,18-pentamethyl-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-13-one", "Applanone D" ], "molecular_formula": "C24H34O5", "smiles": "CC(=O)[C@H]1C[C@@H](O)[C@@]2(C)[C@]34O[C@H]3C[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)C4=CC(=O)[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0032574", "npaid": "NPA025881" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "MWKCVDOKQBMXSE-BVTKDRHKSA-N": { "inchikey": "MWKCVDOKQBMXSE-BVTKDRHKSA-N", "inchikey2D": "MWKCVDOKQBMXSE", "names": [ "(2r,3s,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dihydroxy-2-methylheptyl (2z,5e)-2-[2-(2,5-dihydroxyphenyl)ethylidene]-6,10-dimethylundeca-5,9-dienoate", "Ganoleuconin P" ], "molecular_formula": "C51H74O8", "smiles": "CC(C)=CCC/C(C)=C/CC/C(=C/Cc1cc(O)ccc1O)C(=O)OC[C@@](C)(O)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0234056", "npaid": "NPA009112" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "OLACLXTZQVYOIP-LJANSZIASA-N": { "inchikey": "OLACLXTZQVYOIP-LJANSZIASA-N", "inchikey2D": "OLACLXTZQVYOIP", "names": [ "(1s,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2s)-2-methyl-5-oxooxolan-2-yl]-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthrene-3,4,7,10-tetrone", "Ganoderlactone B" ], "molecular_formula": "C27H34O6", "smiles": "CC1(C)C(=O)CC[C@]2(C)C3=C(C(=O)C[C@@H]12)[C@]1(C)C(=O)C[C@H]([C@]2(C)CCC(=O)O2)[C@@]1(C)CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0012092", "npaid": "NPA005876" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MIWGXXQCEDNROQ-UHFFFAOYSA-N": { "inchikey": "MIWGXXQCEDNROQ-UHFFFAOYSA-N", "inchikey2D": "MIWGXXQCEDNROQ", "names": [ "6-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-4-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O7", "smiles": "CC(=CC(O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0251436" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JTBDTJVGIGEPFI-UHFFFAOYSA-N": { "inchikey": "JTBDTJVGIGEPFI-UHFFFAOYSA-N", "inchikey2D": "JTBDTJVGIGEPFI", "names": [ "6-{3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-4-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O7", "smiles": "CC(=CC(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0032739" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VMFJYKZEDLREMS-USNOLKROSA-N": { "inchikey": "VMFJYKZEDLREMS-USNOLKROSA-N", "inchikey2D": "VMFJYKZEDLREMS", "names": [ "(2s,4as,6s,8as)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-hydroxy-5,5,8a-trimethyl-hexahydro-1-benzopyran-2-carboxylic acid", "Cochlearol P" ], "molecular_formula": "C21H28O7", "smiles": "CC1(C)[C@@H](O)CC[C@]2(C)O[C@@](CC(=O)c3cc(O)ccc3O)(C(=O)O)CC[C@@H]12", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0008952", "npaid": "NPA025930" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "LSZVUGCMASOQBS-UHFFFAOYSA-N": { "inchikey": "LSZVUGCMASOQBS-UHFFFAOYSA-N", "inchikey2D": "LSZVUGCMASOQBS", "names": [ "methyl 2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(1-hydroxypropan-2-yl)oxolane-2-carboxylate" ], "molecular_formula": "C17H22O7", "smiles": "COC(=O)C1(CC(=O)c2cc(O)ccc2O)CCC(C(C)CO)O1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0009099" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "JASUHFONOXUJSH-UHFFFAOYSA-N": { "inchikey": "JASUHFONOXUJSH-UHFFFAOYSA-N", "inchikey2D": "JASUHFONOXUJSH", "names": [ "6-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-4-hydroxy-2-methylheptanoic acid" ], "molecular_formula": "C30H46O7", "smiles": "CC(CC(O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0252351" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HLIPHTRQCSGMCK-UHFFFAOYSA-N": { "inchikey": "HLIPHTRQCSGMCK-UHFFFAOYSA-N", "inchikey2D": "HLIPHTRQCSGMCK", "names": [ "4a,7-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-1,2,3,9a-tetrahydroxanthene-4,9-dione" ], "molecular_formula": "C16H16O6", "smiles": "C=C(CO)C1CCC2C(=O)c3cc(O)ccc3OC2(O)C1=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0109632" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "AJWHGXHFEQATTC-XEIJISSBSA-N": { "inchikey": "AJWHGXHFEQATTC-XEIJISSBSA-N", "inchikey2D": "AJWHGXHFEQATTC", "names": [ "6-[(1s,3s,7s,10s,14r,17r,18s)-7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O8", "smiles": "CC(CC(=O)CC(C)(O)C1=C[C@@H](O)[C@@]2(C)[C@]34O[C@H]3CC3C(C)(C)[C@@H](O)CC[C@]3(C)C4=CC(=O)[C@]12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0233965" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "SUTMBPWDBAUJCG-VWLWTTOSSA-N": { "inchikey": "SUTMBPWDBAUJCG-VWLWTTOSSA-N", "inchikey2D": "SUTMBPWDBAUJCG", "names": [ "(2e,6r)-6-[(1r,3s,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-2-enoic acid" ], "molecular_formula": "C32H46O6", "smiles": "CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC(=O)/C=C(\\C)C(=O)O)C[C@H](O)[C@@]4(C)C3=CC[C@H]2C1(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0014481" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DCXSLOVKLLXMQB-IOBQGPHZSA-N": { "inchikey": "DCXSLOVKLLXMQB-IOBQGPHZSA-N", "inchikey2D": "DCXSLOVKLLXMQB", "names": [ "3-[(1s,5s,6s,8s,10r,13s,14r)-8-(acetyloxy)-5,10,14-trimethyl-3-oxo-14-(3-oxopentyl)-6-(prop-1-en-2-yl)-15-oxatetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadec-4(9)-en-5-yl]propanoic acid", "Ganoboninone H" ], "molecular_formula": "C31H44O7", "smiles": "C=C(C)[C@@H]1C[C@H](OC(C)=O)C2=C(C(=O)C[C@]34CO[C@](C)(CCC(=O)CC)[C@H]3CC[C@@]24C)[C@@]1(C)CCC(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0019075", "npaid": "NPA027737" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "CUSAEAZTYDVKLC-WIBPKFNESA-N": { "inchikey": "CUSAEAZTYDVKLC-WIBPKFNESA-N", "inchikey2D": "CUSAEAZTYDVKLC", "names": [ "5-(2,5-dihydroxyphenyl)-5-ethoxy-3-[(3e,7z)-9-hydroxy-4,8-dimethylnona-3,7-dien-1-yl]furan-2-one", "Australeol E" ], "molecular_formula": "C23H30O6", "smiles": "CCOC1(c2cc(O)ccc2O)C=C(CC/C=C(\\C)CC/C=C(/C)CO)C(=O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0020225", "npaid": "NPA026951" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "JLZBFBIKPBNFQN-UHFFFAOYSA-N": { "inchikey": "JLZBFBIKPBNFQN-UHFFFAOYSA-N", "inchikey2D": "JLZBFBIKPBNFQN", "names": [ "4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1-(2-methyl-5-oxooxolan-2-yl)-1h,2h,4h,5h,5ah,7h,8h,9h-cyclopenta[a]phenanthrene-3,10,11-trione" ], "molecular_formula": "C27H36O7", "smiles": "CC1(C2CC(=O)C3(C)C4=C(C(=O)C(=O)C23C)C2(C)CCC(O)C(C)(C)C2CC4O)CCC(=O)O1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0022477" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WCPRSKXCWMBEHO-UHFFFAOYSA-N": { "inchikey": "WCPRSKXCWMBEHO-UHFFFAOYSA-N", "inchikey2D": "WCPRSKXCWMBEHO", "names": [ "6-{3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-4-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O5", "smiles": "CC(=CC(O)CC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0087045" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "LYPMWWKFDBLENE-UHFFFAOYSA-N": { "inchikey": "LYPMWWKFDBLENE-UHFFFAOYSA-N", "inchikey2D": "LYPMWWKFDBLENE", "names": [ 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"external_ids": { "lotus_id": "LTS0028012", "npaid": "NPA012657" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CGBVXUCQFUXTDZ-UHFFFAOYSA-N": { "inchikey": "CGBVXUCQFUXTDZ-UHFFFAOYSA-N", "inchikey2D": "CGBVXUCQFUXTDZ", "names": [ "(±)-cochlearin G", "methyl 2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-methylhept-5-enoate" ], "molecular_formula": "C17H22O5", "smiles": "COC(=O)C(CCC=C(C)C)CC(=O)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0028401", "npaid": "NPA028162" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "XMBMRJGNNOUNJL-SXNHSFLKSA-N": { "inchikey": "XMBMRJGNNOUNJL-SXNHSFLKSA-N", "inchikey2D": "XMBMRJGNNOUNJL", "names": [ "(2s,4s,6r)-6-[(1r,3as,4r,5as,9ar,11as)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4,6-dihydroxy-2-methylheptanoic acid" ], "molecular_formula": "C30H44O8", "smiles": "C[C@@H](C[C@H](O)C[C@@](C)(O)[C@@H]1CC(=O)[C@]2(C)C3=C(C(=O)C[C@@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0074915" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "AXGVFLQALSABLQ-UHFFFAOYSA-N": { "inchikey": "AXGVFLQALSABLQ-UHFFFAOYSA-N", "inchikey2D": "AXGVFLQALSABLQ", "names": [ "6-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-methylhept-2-enedioic acid" ], "molecular_formula": "C16H18O7", "smiles": "CC(=CCCC(CC(=O)c1cc(O)ccc1O)C(=O)O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0089388" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "HOPDNBIFYDWRMF-UHFFFAOYSA-N": { "inchikey": "HOPDNBIFYDWRMF-UHFFFAOYSA-N", "inchikey2D": "HOPDNBIFYDWRMF", "names": [ "6-[11-(acetyloxy)-4-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H44O9", "smiles": "CC(=O)OC1C(=O)C2=C(C(O)CC3C(C)(CO)C(=O)CCC23C)C2(C)C(=O)CC(C(C)CCC=C(C)C(=O)O)C12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0080769" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "FUCYIEXQVQJBKY-ZFWWWQNUSA-N": { "inchikey": "FUCYIEXQVQJBKY-ZFWWWQNUSA-N", "inchikey2D": "FUCYIEXQVQJBKY", "names": [ "delta-cadinene" ], "molecular_formula": "C15H24", "smiles": "CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0019321" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VVXZWUASDACSNQ-KJJKIPIBSA-N": { "inchikey": "VVXZWUASDACSNQ-KJJKIPIBSA-N", "inchikey2D": "VVXZWUASDACSNQ", "names": [ "(2r,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-6,6,9a,11a-tetramethyl-10-oxo-1h,2h,3h,3ah,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C29H44O7", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0226721" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "YCWGPALSXRBKTM-UHFFFAOYSA-N": { "inchikey": "YCWGPALSXRBKTM-UHFFFAOYSA-N", "inchikey2D": "YCWGPALSXRBKTM", "names": [ "6-[3-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H48O5", "smiles": "CC(=O)OC1CC(C(C)CCC=C(C)C(=O)O)C2(C)CC=C3C(=CCC4C3(C)CCC(O)C4(C)C)C12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0079864" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HZSSXIBJQNNCMO-XLRKQCRXSA-N": { "inchikey": "HZSSXIBJQNNCMO-XLRKQCRXSA-N", "inchikey2D": "HZSSXIBJQNNCMO", "names": [ "methyl (2r,6r)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O6", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0226152" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DINWVVGAULGGQI-UHFFFAOYSA-N": { "inchikey": "DINWVVGAULGGQI-UHFFFAOYSA-N", "inchikey2D": "DINWVVGAULGGQI", "names": [ "5-hydroxy-3-oxo-5'-(3-oxoprop-1-en-2-yl)spiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylic acid" ], "molecular_formula": "C16H14O6", "smiles": "C=C(C=O)C1CCC(C(=O)O)C12Oc1ccc(O)cc1C2=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0081978" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "UBOFIPWTXMSWDI-LHLHYRRCSA-N": { "inchikey": "UBOFIPWTXMSWDI-LHLHYRRCSA-N", "inchikey2D": "UBOFIPWTXMSWDI", "names": [ "[(3ar,5ar,7s,9ar,11ar)-1-[(2s,5z)-3,7-dihydroxy-6-methylhept-5-en-2-yl]-7-hydroxy-3a,6,6,11a-tetramethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-9a-yl]methyl acetate" ], "molecular_formula": "C32H52O5", "smiles": "CC(=O)OC[C@]12CC[C@H](O)C(C)(C)[C@@H]1CCC1=C2CC[C@]2(C)C([C@H](C)C(O)C/C=C(/C)CO)CC[C@@]12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0090398" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "GSUMMBGPXVRPOL-WYQVCHQDSA-N": { "inchikey": "GSUMMBGPXVRPOL-WYQVCHQDSA-N", "inchikey2D": "GSUMMBGPXVRPOL", "names": [ "(2r,3s,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dihydroxy-2-methylheptyl (2z,5e)-2-[2-(2,5-dihydroxyphenyl)ethylidene]-6,10-dimethylundeca-5,9-dienoate", "Ganoleuconin M" ], "molecular_formula": "C51H74O7", "smiles": "CC(C)=CCC/C(C)=C/CC/C(=C/Cc1cc(O)ccc1O)C(=O)OC[C@@](C)(O)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0011241", "npaid": "NPA009000" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "BLYISEBTSCBMSM-FJHPKMJMSA-N": { "inchikey": "BLYISEBTSCBMSM-FJHPKMJMSA-N", "inchikey2D": "BLYISEBTSCBMSM", "names": [ "methyl (4r)-4-[(1r,3ar,4s,6s,7s,9as,11ar)-4,7-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate", "methyl Lucidenate Ha" ], "molecular_formula": "C28H42O7", "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(CO)C1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0022161", "npaid": "NPA012893" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "NZZFFUIAJHXCFY-GDPRMGEGSA-N": { "inchikey": "NZZFFUIAJHXCFY-GDPRMGEGSA-N", "inchikey2D": "NZZFFUIAJHXCFY", "names": [ "(+)-applanatumol Z5", "(1s,6s,12s)-12-hydroxy-8-oxatricyclo[4.3.3.0¹,⁶]dodec-4-ene-3,9-dione" ], "molecular_formula": "C11H12O4", "smiles": "O=C1C=C[C@@]23COC(=O)[C@@]2(CC[C@@H]3O)C1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0031071", "npaid": "NPA026065" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "POQMIGQCVPIYKY-UHFFFAOYSA-N": { "inchikey": "POQMIGQCVPIYKY-UHFFFAOYSA-N", "inchikey2D": "POQMIGQCVPIYKY", "names": [ "6-[7-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H46O8", "smiles": "CC(=O)OC1CCC2(C)C3=C(C(=O)CC2C1(C)C)C1(C)C(O)CC(C(C)CC(=O)CC(C)C(=O)O)C1(C)CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0214864" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "BZPYSIHRWHPKGR-UHFFFAOYSA-N": { "inchikey": "BZPYSIHRWHPKGR-UHFFFAOYSA-N", "inchikey2D": "BZPYSIHRWHPKGR", "names": [ "Ling Zhi-8", "n-(1-{[1-({1-[(1-{[1-({4-carbamimidamido-1-[(1-{[1-(c-hydroxycarbonimidoyl)ethyl]-c-hydroxycarbonimidoyl}-3-methylbutyl)-c-hydroxycarbonimidoyl]butyl}-c-hydroxycarbonimidoyl)-2-phenylethyl]-c-hydroxycarbonimidoyl}-2-methylbutyl)-c-hydroxycarbonimidoyl]-3-methylbutyl}-c-hydroxycarbonimidoyl)ethyl]-c-hydroxycarbonimidoyl}-2-hydroxypropyl)-2-({1,3-dihydroxy-2-[(1-hydroxyethylidene)amino]propylidene}amino)butanediimidic acid" ], "molecular_formula": "C52H87N15O14", "smiles": "CCC(C)C(N=C(O)C(CC(C)C)N=C(O)C(C)N=C(O)C(N=C(O)C(CC(=N)O)N=C(O)C(CO)N=C(C)O)C(C)O)C(O)=NC(Cc1ccccc1)C(O)=NC(CCCNC(=N)N)C(O)=NC(CC(C)C)C(O)=NC(C)C(=N)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0255741", "npaid": "NPA018288" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SGVUAJJCIGJLFB-PJLVYECESA-N": { "inchikey": "SGVUAJJCIGJLFB-PJLVYECESA-N", "inchikey2D": "SGVUAJJCIGJLFB", "names": [ "(1r,3s,3ar,4s,7s,9as,11ar)-3,4,7-trihydroxy-1-[(2s)-1-hydroxypropan-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-10-one", "Ganosineniol A" ], "molecular_formula": "C25H40O5", "smiles": "C[C@H](CO)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0111231", "npaid": "NPA008740" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "DDMDFQFSDBWUKJ-UKDIAUJWSA-N": { "inchikey": "DDMDFQFSDBWUKJ-UKDIAUJWSA-N", "inchikey2D": "DDMDFQFSDBWUKJ", "names": [ "3-[(1r,2r,3s,5r,6r,10s,11s,13r)-3-acetyl-2,6,10-trimethyl-5-[(1z)-1-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]prop-1-en-2-yl]-7-oxo-11-(prop-1-en-2-yl)-14-oxatetracyclo[7.5.0.0¹,¹³.0²,⁶]tetradec-8-en-10-yl]propanoic acid" ], "molecular_formula": "C32H42O7", "smiles": "C=C(C)[C@@H]1C[C@H]2O[C@@]23C(=CC(=O)[C@]2(C)[C@@H](/C(C)=C\\[C@H]4C[C@@H](C)C(=O)O4)C[C@H](C(C)=O)[C@@]32C)[C@@]1(C)CCC(=O)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0258590" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "LCYXQUJDODZYIJ-UHFFFAOYSA-N": { "inchikey": "LCYXQUJDODZYIJ-UHFFFAOYSA-N", "inchikey2D": "LCYXQUJDODZYIJ", "names": [ "pinocarveol" ], "molecular_formula": "C10H16O", "smiles": "C=C1C(O)CC2CC1C2(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0090950" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OTUZGGSAOMCYNC-CIAFOILYSA-N": { "inchikey": "OTUZGGSAOMCYNC-CIAFOILYSA-N", "inchikey2D": "OTUZGGSAOMCYNC", "names": [ "(2e)-6-[3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O6", "smiles": "CC(=O)OC1CCC2(C)C3=CCC4(C)C(C(C)CC/C=C(\\C)C(=O)O)CC(OC(C)=O)C4(C)C3=CCC2C1(C)C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0025884" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZSPWZRQMOUBMNW-RTDYZIJUSA-N": { "inchikey": "ZSPWZRQMOUBMNW-RTDYZIJUSA-N", "inchikey2D": "ZSPWZRQMOUBMNW", "names": [ "Ganodernoid C", "methyl 4-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pent-4-enoate" ], "molecular_formula": "C28H36O6", "smiles": "C=C(CCC(=O)OC)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0017733", "npaid": "NPA006695" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "RMKUNHROPPZENV-IXWATKSXSA-N": { "inchikey": "RMKUNHROPPZENV-IXWATKSXSA-N", "inchikey2D": "RMKUNHROPPZENV", "names": [ "ganodesterone" ], "molecular_formula": "C28H40O2", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0030259" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WTCJIOHXEZDUFF-GGUURCNLSA-N": { "inchikey": "WTCJIOHXEZDUFF-GGUURCNLSA-N", "inchikey2D": "WTCJIOHXEZDUFF", "names": [ "(2e,6r)-6-[(1r,3s,3ar,4s,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoderic acid GS-2" ], "molecular_formula": "C30H44O6", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0228988", "npaid": "NPA003928" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "VYCVQRQGZNGHFR-JZNOWYATSA-N": { "inchikey": "VYCVQRQGZNGHFR-JZNOWYATSA-N", "inchikey2D": "VYCVQRQGZNGHFR", "names": [ "Resinacein F", "methyl (6r)-6-[(3ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H42O7", "smiles": "COC(=O)C(C)CC(=O)C[C@@H](C)C1=CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0108001", "npaid": "NPA023680" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "QIZQYDGATDXOSJ-PPGCHDEUSA-N": { "inchikey": "QIZQYDGATDXOSJ-PPGCHDEUSA-N", "inchikey2D": "QIZQYDGATDXOSJ", "names": [ "methyl (2r,6r)-6-[(1r,3ar,4s,5ar,7s,9as,11s,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H46O8", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0022744" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CLSQDKKKSJPJCC-PGTDVAKFSA-N": { "inchikey": "CLSQDKKKSJPJCC-PGTDVAKFSA-N", "inchikey2D": "CLSQDKKKSJPJCC", "names": [ "methyl (6r)-6-[(1r,3s,3ar,9as,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate", "methyl ganoderate J" ], "molecular_formula": "C31H44O7", "smiles": "COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0020608", "npaid": "NPA015875" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FXHGMKSSBGDXIY-UHFFFAOYSA-N": { "inchikey": "FXHGMKSSBGDXIY-UHFFFAOYSA-N", "inchikey2D": "FXHGMKSSBGDXIY", "names": [ "heptanal" ], "molecular_formula": "C7H14O", "smiles": "CCCCCCC=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0031416" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OUVYMXFMCMMQQV-UHFFFAOYSA-N": { "inchikey": "OUVYMXFMCMMQQV-UHFFFAOYSA-N", "inchikey2D": "OUVYMXFMCMMQQV", "names": [ "3-(4-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}furan-2-yl)-2-methylpropanoic acid" ], "molecular_formula": "C30H38O7", "smiles": "CC(Cc1cc(C2CC(O)C3(C)C4=C(C(=O)CC23C)C2(C)CCC(=O)C(C)(C)C2CC4=O)co1)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0094174" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "BPJPBLZKOVIJQD-UHFFFAOYSA-N": { "inchikey": "BPJPBLZKOVIJQD-UHFFFAOYSA-N", "inchikey2D": "BPJPBLZKOVIJQD", "names": [ "2-methyl-4-oxo-6-{4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}heptanoic acid" ], "molecular_formula": "C30H44O8", "smiles": "CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0110739" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DGLHQRMXGDBMDN-MWHADTDPSA-N": { "inchikey": "DGLHQRMXGDBMDN-MWHADTDPSA-N", "inchikey2D": "DGLHQRMXGDBMDN", "names": [ "(2r,2'r,5's)-5-hydroxy-5'-(3-{[(2r,2's,5'r)-5-hydroxy-2'-(3-hydroxyprop-1-en-2-yl)-3-oxospiro[1-benzofuran-2,1'-cyclopentan]-5'-yl]carbonyloxy}prop-1-en-2-yl)-3-oxospiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylic acid", "Ganoleucin D" ], "molecular_formula": "C32H30O11", "smiles": "C=C(COC(=O)[C@@H]1CC[C@@H](C(=C)CO)[C@@]12Oc1ccc(O)cc1C2=O)[C@@H]1CC[C@@H](C(=O)O)[C@]12Oc1ccc(O)cc1C2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0022554", "npaid": "NPA021663" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "PXBRGMAJKPPNOG-DRIPWNGSSA-N": { "inchikey": "PXBRGMAJKPPNOG-DRIPWNGSSA-N", "inchikey2D": "PXBRGMAJKPPNOG", "names": [ "(2e,5s)-6-[(1r,3s,3ar,7r,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid", "22b-Acetoxy-3a,15a-trihydroxylanosta-7,9(11),24-trien-26-oic acid" ], "molecular_formula": "C32H48O6", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)C(C)[C@H]1C[C@H](O)[C@@]2(C)C3=CCC4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0105488", "npaid": "NPA008197" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QXAZRJVLUHRKJT-VSFCLFJHSA-N": { "inchikey": "QXAZRJVLUHRKJT-VSFCLFJHSA-N", "inchikey2D": "QXAZRJVLUHRKJT", "names": [ "(2s,6s)-6-[(1s,3as,5as,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H40O8", "smiles": "C[C@@H](CC(=O)C[C@](C)(O)[C@H]1CC(=O)[C@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0024115" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LPZURWPKEZGETF-WKPIXPDZSA-N": { "inchikey": "LPZURWPKEZGETF-WKPIXPDZSA-N", "inchikey2D": "LPZURWPKEZGETF", "names": [ "(-)-lingzhiol", "(1r,10r,14r)-3,6,14-trihydroxy-12-oxatetracyclo[8.3.3.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-8,11-dione" ], "molecular_formula": "C15H14O6", "smiles": "O=C1C[C@]23CC[C@@H](O)[C@]2(COC3=O)c2c(O)ccc(O)c21", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0032823", "npaid": "NPA019591" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PILMPTUAXYPAME-UHFFFAOYSA-N": { "inchikey": "PILMPTUAXYPAME-UHFFFAOYSA-N", "inchikey2D": "PILMPTUAXYPAME", "names": [ "6-{3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-4-hydroxy-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H40O7", "smiles": "CC(=CC(O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0023835" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WVYAVOPFSOYOIJ-UHFFFAOYSA-N": { "inchikey": "WVYAVOPFSOYOIJ-UHFFFAOYSA-N", "inchikey2D": "WVYAVOPFSOYOIJ", "names": [ "6-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-4,6-dihydroxy-2-methylheptanoic acid" ], "molecular_formula": "C30H46O8", "smiles": "CC(CC(O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0023219" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "YBGBNHHXOJXFNM-UQCMLMITSA-N": { "inchikey": "YBGBNHHXOJXFNM-UQCMLMITSA-N", "inchikey2D": "YBGBNHHXOJXFNM", "names": [ "Lucidenic acid N", "lucidenic acid n" ], "molecular_formula": "C27H40O6", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0076121", "npaid": "NPA014391" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QPEKELRREXLZJP-WGULIUFBSA-N": { "inchikey": "QPEKELRREXLZJP-WGULIUFBSA-N", "inchikey2D": "QPEKELRREXLZJP", "names": [ "(4r)-4-[(1r,3ar,4s,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid", "Lucidenic acid P" ], "molecular_formula": "C29H42O8", 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"toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "FROUXXYVOAIKFY-UHFFFAOYSA-N": { "inchikey": "FROUXXYVOAIKFY-UHFFFAOYSA-N", "inchikey2D": "FROUXXYVOAIKFY", "names": [ "methyl 6-{3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H48O6", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0226443" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZMCAVMNYYSRICG-UHFFFAOYSA-N": { "inchikey": "ZMCAVMNYYSRICG-UHFFFAOYSA-N", "inchikey2D": "ZMCAVMNYYSRICG", "names": [ "methyl 2',5-dihydroxy-3-oxospiro[1-benzofuran-2,1'-cyclopentane]-5'-carboxylate" ], "molecular_formula": "C14H14O6", "smiles": "COC(=O)C1CCC(O)C12Oc1ccc(O)cc1C2=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0103433" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "OEHYQHPDUCRLMW-GHQFMVCYSA-N": { "inchikey": "OEHYQHPDUCRLMW-GHQFMVCYSA-N", "inchikey2D": "OEHYQHPDUCRLMW", "names": [ "6-[(3as,4r,7r,9ar,11r,11as)-11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H46O9", "smiles": "CC(=O)O[C@H]1C(=O)C2=C([C@H](O)CC3C(C)(C)[C@H](O)CC[C@@]23C)[C@@]2(C)C(=O)CC(C(C)CC(=O)CC(C)C(=O)O)[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0248932" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VBGDQDJVTLQGNO-UHFFFAOYSA-N": { "inchikey": "VBGDQDJVTLQGNO-UHFFFAOYSA-N", "inchikey2D": "VBGDQDJVTLQGNO", "names": [ "6-{3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H40O7", "smiles": "CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0243161" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KZSJJLYAVJDVEZ-BHEBFUJYSA-N": { "inchikey": "KZSJJLYAVJDVEZ-BHEBFUJYSA-N", "inchikey2D": "KZSJJLYAVJDVEZ", "names": [ "(2e,6r)-6-[(1r,3ar,4s,5ar,6r,9as,11r,11ar)-4,11-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoleuconin B" ], "molecular_formula": "C30H44O7", "smiles": "C/C(=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0103519", "npaid": "NPA011895" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "QRWTVFKEWNICIM-JQWIXIFHSA-N": { "inchikey": "QRWTVFKEWNICIM-JQWIXIFHSA-N", "inchikey2D": "QRWTVFKEWNICIM", "names": [ "(+)-chizhine B", "(3s,5r)-3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(2-methylprop-1-en-1-yl)oxolan-2-one" ], "molecular_formula": "C16H18O5", "smiles": "CC(C)=C[C@H]1C[C@@H](CC(=O)c2cc(O)ccc2O)C(=O)O1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0020681", "npaid": "NPA003149" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HQBFPRYHRGQEDT-IMJJTQAJSA-N": { "inchikey": "HQBFPRYHRGQEDT-IMJJTQAJSA-N", "inchikey2D": "HQBFPRYHRGQEDT", "names": [ "(3ar,4s,6as)-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-tetrahydro-1h-cyclopenta[c]furan-3a-carboxylic acid", "Philippin" ], "molecular_formula": "C16H18O7", "smiles": "O=C(C[C@@]12CC[C@H](O)[C@]1(C(=O)O)COC2)c1cc(O)ccc1O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0017552", "npaid": "NPA024207" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "ZMCAVMNYYSRICG-NURSFMCSSA-N": { "inchikey": "ZMCAVMNYYSRICG-NURSFMCSSA-N", "inchikey2D": "ZMCAVMNYYSRICG", "names": [ "Spiroapplanatumine Q", "methyl (2r,2's,5'r)-2',5-dihydroxy-3-oxospiro[1-benzofuran-2,1'-cyclopentane]-5'-carboxylate" ], "molecular_formula": "C14H14O6", "smiles": "COC(=O)[C@@H]1CC[C@H](O)[C@]12Oc1ccc(O)cc1C2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0069426", "npaid": "NPA022131" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "VUCVZGYKEXVQJI-OZPBZBSTSA-N": { "inchikey": "VUCVZGYKEXVQJI-OZPBZBSTSA-N", "inchikey2D": "VUCVZGYKEXVQJI", "names": [ "methyl (2r,5e)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoate" ], "molecular_formula": "C31H42O7", "smiles": "COC(=O)[C@H](C)CC(=O)/C=C(\\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0231483" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "AKWNYHCILPEENZ-YFIDGAHXSA-N": { "inchikey": "AKWNYHCILPEENZ-YFIDGAHXSA-N", "inchikey2D": "AKWNYHCILPEENZ", "names": [ "(2r,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10,11-pentaoxo-1h,2h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H38O8", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C(=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0242747" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VGRAGVJGXZADGV-UHFFFAOYSA-N": { "inchikey": "VGRAGVJGXZADGV-UHFFFAOYSA-N", "inchikey2D": "VGRAGVJGXZADGV", "names": [ "methyl 4-[3,4-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C28H42O7", "smiles": "COC(=O)CCC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(CO)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0243594" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VCCZNZDGMFCWPD-FHLIZLRMSA-N": { "inchikey": "VCCZNZDGMFCWPD-FHLIZLRMSA-N", "inchikey2D": "VCCZNZDGMFCWPD", "names": [ "(+)-applanatumol E", "(3as,4r,6ar)-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3a-(dimethoxymethyl)-4-hydroxy-tetrahydrocyclopenta[c]furan-1-one" ], "molecular_formula": "C18H22O8", "smiles": "COC(OC)[C@]12COC(=O)[C@@]1(CC(=O)c1cc(O)ccc1O)CC[C@H]2O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0001211", "npaid": "NPA013103" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "JTEXACAUXDMYDF-GAEDQJCFSA-N": { "inchikey": "JTEXACAUXDMYDF-GAEDQJCFSA-N", "inchikey2D": "JTEXACAUXDMYDF", "names": [ "(4r)-4-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid", "4,4,14α-trimethyl-3,7-dioxo-5α-chol-8-en-24-oic acid" ], "molecular_formula": "C27H40O4", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0226162", "npaid": "NPA010166" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AZCYOYBNOUOOJJ-UHFFFAOYSA-N": { "inchikey": "AZCYOYBNOUOOJJ-UHFFFAOYSA-N", "inchikey2D": "AZCYOYBNOUOOJJ", "names": [ "methyl 6-{7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O8", "smiles": "COC(=O)C(C)CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0271458" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SEOWBYMXTMBDQO-XFLVOATNSA-N": { "inchikey": "SEOWBYMXTMBDQO-XFLVOATNSA-N", "inchikey2D": "SEOWBYMXTMBDQO", "names": [ "(4r)-4-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-2,4,7,10,11-pentaoxo-1h,3h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl]pentanoic acid", "Lucidenic acid D" ], "molecular_formula": "C27H34O7", "smiles": "C[C@H](CCC(=O)O)[C@H]1C(=O)C[C@@]2(C)C3=C(C(=O)C(=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0107340", "npaid": "NPA008493" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ZWSBRGIDEIYQSK-UHFFFAOYSA-N": { "inchikey": "ZWSBRGIDEIYQSK-UHFFFAOYSA-N", "inchikey2D": "ZWSBRGIDEIYQSK", "names": [ "3-hydroxy-2-methyl-4-oxo-6-{3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}hept-5-enoic acid" ], "molecular_formula": "C30H44O8", "smiles": "CC(=CC(=O)C(O)C(C)C(=O)O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0246688" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "LCFUTECDUKUAFQ-UHFFFAOYSA-N": { "inchikey": "LCFUTECDUKUAFQ-UHFFFAOYSA-N", "inchikey2D": "LCFUTECDUKUAFQ", "names": [ "4-{3a,6,6,9a,11a-pentamethyl-3,4,7,10,11-pentaoxo-1h,2h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl}pentanoic acid" ], "molecular_formula": "C27H34O7", "smiles": "CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0005292" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YMOPKZYYURKDKI-UHFFFAOYSA-N": { "inchikey": "YMOPKZYYURKDKI-UHFFFAOYSA-N", "inchikey2D": "YMOPKZYYURKDKI", "names": [ "6-{5-hydroxy-2,6,6,11,15-pentamethyl-18-oxapentacyclo[8.8.0.0¹,¹⁷.0²,⁷.0¹¹,¹⁵]octadec-9-en-14-yl}-2-methylhept-2-enal" ], "molecular_formula": "C30H46O3", "smiles": "CC(C=O)=CCCC(C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C34OC4CC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0017999" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "IABFUGDOHOVCEJ-UHFFFAOYSA-N": { "inchikey": "IABFUGDOHOVCEJ-UHFFFAOYSA-N", "inchikey2D": "IABFUGDOHOVCEJ", "names": [ "4-[11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0²,¹⁰.0³,⁷]pentadec-2(10)-en-6-yl]pentanoic acid" ], "molecular_formula": "C27H40O7", "smiles": "CC(CCC(=O)O)C1CCC2(C)C3=C(C(=O)CC12C)C(C)(CCC(=O)O)C1CC3OC1(C)CO", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0027986" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "KYWIYKKSMDLRDC-UHFFFAOYSA-N": { "inchikey": "KYWIYKKSMDLRDC-UHFFFAOYSA-N", "inchikey2D": "KYWIYKKSMDLRDC", "names": [ "undecan-2-one" ], "molecular_formula": "C11H22O", "smiles": "CCCCCCCCCC(C)=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0244143" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HQBFPRYHRGQEDT-UHFFFAOYSA-N": { "inchikey": "HQBFPRYHRGQEDT-UHFFFAOYSA-N", "inchikey2D": "HQBFPRYHRGQEDT", "names": [ "6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-tetrahydro-1h-cyclopenta[c]furan-3a-carboxylic acid" ], "molecular_formula": "C16H18O7", "smiles": "O=C(CC12CCC(O)C1(C(=O)O)COC2)c1cc(O)ccc1O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0212722" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "DKZXEHHGZYVJLI-UHFFFAOYSA-N": { "inchikey": "DKZXEHHGZYVJLI-UHFFFAOYSA-N", "inchikey2D": "DKZXEHHGZYVJLI", "names": [ "6-[11-(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C32H42O9", "smiles": "CC(=O)OC1C(=O)C2=C(C(O)CC3C(C)(C)C(=O)CCC23C)C2(C)C(=O)CC(C(C)=CC(=O)CC(C)C(=O)O)C12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0230148" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NQOCOYQAQQQJKJ-UHFFFAOYSA-N": { "inchikey": "NQOCOYQAQQQJKJ-UHFFFAOYSA-N", "inchikey2D": "NQOCOYQAQQQJKJ", "names": [ "5-(acetyloxy)-6-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H48O6", "smiles": "CC(=O)OC(CC=C(C)C(=O)O)C(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0020399" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "NGQBPTCJUKNWJC-JKTDPEJKSA-N": { "inchikey": "NGQBPTCJUKNWJC-JKTDPEJKSA-N", "inchikey2D": "NGQBPTCJUKNWJC", "names": [ "methyl (4r)-4-[(1r,3ar,5ar,7s,9as,11s,11ar)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate" ], "molecular_formula": "C28H40O7", "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0275496" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UWDUPJHVQLGXIK-UHFFFAOYSA-N": { "inchikey": "UWDUPJHVQLGXIK-UHFFFAOYSA-N", "inchikey2D": "UWDUPJHVQLGXIK", "names": [ "3-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)oxolan-2-one" ], "molecular_formula": "C12H14O6", "smiles": "COc1cc(C2COC(=O)C2O)cc(OC)c1O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0076465" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DZEJAEGGININJV-UHFFFAOYSA-N": { "inchikey": "DZEJAEGGININJV-UHFFFAOYSA-N", "inchikey2D": "DZEJAEGGININJV", "names": [ "5-(acetyloxy)-6-{3,4,9b-trihydroxy-3,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H48O8", "smiles": "CC(=O)OC(CC=C(C)C(=O)O)C(C)C1CC(C)(O)C2=C3C(O)CC4C(C)(C)C(=O)CCC4(C)C3(O)CCC21C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0024808" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "ZWSBRGIDEIYQSK-GKGAMFJCSA-N": { "inchikey": "ZWSBRGIDEIYQSK-GKGAMFJCSA-N", "inchikey2D": "ZWSBRGIDEIYQSK", "names": [ "(5e)-6-[(1r,3s,3ar,4s,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-2-methyl-4-oxohept-5-enoic acid", "Resinacein N" ], "molecular_formula": "C30H44O8", "smiles": "C/C(=C\\C(=O)C(O)C(C)C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0273063", "npaid": "NPA023688" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "AUAXRALNWSHMRJ-GHRIWEEISA-N": { "inchikey": "AUAXRALNWSHMRJ-GHRIWEEISA-N", "inchikey2D": "AUAXRALNWSHMRJ", "names": [ "(2e)-4-hydroxy-6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O6", "smiles": "C/C(=C\\C(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0033784" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "OFMXGFHWLZPCFL-UHFFFAOYSA-N": { "inchikey": "OFMXGFHWLZPCFL-UHFFFAOYSA-N", "inchikey2D": "OFMXGFHWLZPCFL", "names": [ "friedelin" ], "molecular_formula": "C30H50O", "smiles": "CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0213494" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "RMKUNHROPPZENV-UHFFFAOYSA-N": { "inchikey": "RMKUNHROPPZENV-UHFFFAOYSA-N", "inchikey2D": "RMKUNHROPPZENV", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,7-dione" ], "molecular_formula": "C28H40O2", "smiles": "CC(C)C(C)C=CC(C)C1CCC2C3=CC(=O)C4=CC(=O)CCC4(C)C3CCC21C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0089924" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LDHARSAUIVWVIT-NSHDSACASA-N": { "inchikey": "LDHARSAUIVWVIT-NSHDSACASA-N", "inchikey2D": "LDHARSAUIVWVIT", "names": [ "(-)-chizhine D", "(2s)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-methylhept-5-enoic acid" ], "molecular_formula": "C16H20O5", "smiles": "CC(C)=CCC[C@@H](CC(=O)c1cc(O)ccc1O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0276365", "npaid": "NPA005578" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "BCZACVDBVIYNMZ-QZUKMHEUSA-N": { "inchikey": "BCZACVDBVIYNMZ-QZUKMHEUSA-N", "inchikey2D": "BCZACVDBVIYNMZ", "names": [ "(2e,5s,6s)-6-[(1s,3s,3as,5as,7r,9ar,11as)-7-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O7", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](OC(C)=O)CC[C@@]4(C)C3=CC[C@@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0005897" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QQKWXUTUSXDYTC-UHFFFAOYSA-N": { "inchikey": "QQKWXUTUSXDYTC-UHFFFAOYSA-N", "inchikey2D": "QQKWXUTUSXDYTC", "names": [ "6-methyl-6-(4-methylpent-3-en-1-yl)benzo[c]chromene-2,9-diol" ], "molecular_formula": "C20H22O3", "smiles": "CC(C)=CCCC1(C)Oc2ccc(O)cc2-c2cc(O)ccc21", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0000752" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "NFHHCMZNOCPXHX-GENVUCNQSA-N": { "inchikey": "NFHHCMZNOCPXHX-GENVUCNQSA-N", "inchikey2D": "NFHHCMZNOCPXHX", "names": [ "(4r)-4-[(1r,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H42O5", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0239469" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QAAGUCRGWOVTQZ-ZDVGBALWSA-N": { "inchikey": "QAAGUCRGWOVTQZ-ZDVGBALWSA-N", "inchikey2D": "QAAGUCRGWOVTQZ", "names": [ "ethyl (10e,13e)-octadeca-10,13-dienoate" ], "molecular_formula": "C20H36O2", "smiles": "CCCC/C=C/C/C=C/CCCCCCCCC(=O)OCC", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0045167" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MMFCJPPRCYDLLZ-CMDGGOBGSA-N": { "inchikey": "MMFCJPPRCYDLLZ-CMDGGOBGSA-N", "inchikey2D": "MMFCJPPRCYDLLZ", "names": [ "(2e)-2-decenal" ], "molecular_formula": "C10H18O", "smiles": "CCCCCCC/C=C/C=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0246681" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FQEMSQQCAVCVGA-VIFFFLDKSA-N": { "inchikey": "FQEMSQQCAVCVGA-VIFFFLDKSA-N", "inchikey2D": "FQEMSQQCAVCVGA", "names": [ "(2s,5e)-6-[(1r,3r,5r,7s,10s,14r,15r,18r)-7-hydroxy-6,6,10,14,18-pentamethyl-13,17-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O7", "smiles": "C/C(=C\\C(=O)C[C@H](C)C(=O)O)[C@H]1CC(=O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0048835" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "HKMCVSPIUAVYSA-UHFFFAOYSA-N": { "inchikey": "HKMCVSPIUAVYSA-UHFFFAOYSA-N", "inchikey2D": "HKMCVSPIUAVYSA", "names": [ "methyl 2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-10-(hydroxymethyl)-6-methylundeca-5,9-dienoate" ], "molecular_formula": "C22H28O7", "smiles": "COC(=O)C(=CC(=O)c1cc(O)ccc1O)CCC=C(C)CCC=C(CO)CO", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0130976" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "UFIFFDILGAASQL-UVTDQMKNSA-N": { "inchikey": "UFIFFDILGAASQL-UVTDQMKNSA-N", "inchikey2D": "UFIFFDILGAASQL", "names": [ "(5z)-6-{4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O8", "smiles": "C/C(=C/C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0128127" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XVBWIRYDRDXAIY-UHFFFAOYSA-N": { "inchikey": "XVBWIRYDRDXAIY-UHFFFAOYSA-N", "inchikey2D": "XVBWIRYDRDXAIY", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-3a,3b,5,5a,7-pentahydroxy-9a,11a-dimethyl-decahydro-1h-cyclopenta[a]phenanthren-4-one" ], "molecular_formula": "C28H46O6", "smiles": "CC(C)C(C)C=CC(C)C1CCC2(O)C1(C)CCC1C3(C)CCC(O)CC3(O)C(O)C(=O)C12O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0249492" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "HNBGJFRBRDXXKU-ZBEGNZNMSA-N": { "inchikey": "HNBGJFRBRDXXKU-ZBEGNZNMSA-N", "inchikey2D": "HNBGJFRBRDXXKU", "names": [ "(2s,7'r)-5-hydroxy-3-oxospiro[1-benzofuran-2,1'-cycloheptan]-3'-ene-3',7'-dicarboxylic acid", "Spiroapplanatumine A" ], "molecular_formula": "C16H14O7", "smiles": "O=C(O)C1=CCC[C@@H](C(=O)O)[C@]2(C1)Oc1ccc(O)cc1C2=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0129185", "npaid": "NPA022130" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "DZEJAEGGININJV-FGFSZNLVSA-N": { "inchikey": "DZEJAEGGININJV-FGFSZNLVSA-N", "inchikey2D": "DZEJAEGGININJV", "names": [ "(2e,5s,6s)-6-[(1r,3r,4r,5ar,9as,9bs,11ar)-3,4,9b-trihydroxy-3,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid", "Ganorbiformin A" ], "molecular_formula": "C32H48O8", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@@H](C)[C@H]1C[C@@](C)(O)C2=C3[C@H](O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0032237", "npaid": "NPA007658" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "MFIBBDYLQUDECT-UHFFFAOYSA-N": { "inchikey": "MFIBBDYLQUDECT-UHFFFAOYSA-N", "inchikey2D": "MFIBBDYLQUDECT", "names": [ "6-{4,10-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7-dioxo-1h,2h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O7", "smiles": "CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0127739" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "HKIUDQBXIGWRRK-YYFIPTGKSA-N": { "inchikey": "HKIUDQBXIGWRRK-YYFIPTGKSA-N", "inchikey2D": "HKIUDQBXIGWRRK", "names": [ "(6r)-6-[(3r,3ar,7s)-3,7-dihydroxy-3a,6,6,9a,11,11a-hexamethyl-4,10-dioxo-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-(acetyloxy)-2-methyl-4-oxohexanoic acid" ], "molecular_formula": "C32H46O9", "smiles": "CC(=O)O[C@H](CC(=O)CC(C)C(=O)O)C1C[C@@H](O)[C@@]2(C)C3=C(C(=O)C(C)C12C)C1(C)CC[C@H](O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0119041" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NBPAZLNDCXUMSM-OTHIEENFSA-N": { "inchikey": "NBPAZLNDCXUMSM-OTHIEENFSA-N", "inchikey2D": "NBPAZLNDCXUMSM", "names": [ "(1r,3ar,4r,5ar,9as,11as)-4-ethoxy-3a,6,6,9a,11a-pentamethyl-1-[(2r,5r,6s)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C32H54O5", "smiles": "CCO[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)CC[C@@H](O)[C@@](C)(O)CO)[C@]1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0133423" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CTBUPPQPICQVQX-UHFFFAOYSA-N": { "inchikey": "CTBUPPQPICQVQX-UHFFFAOYSA-N", "inchikey2D": "CTBUPPQPICQVQX", "names": [ "3,4-dihydroxy-3',3a,4'',6,6,9a,11a-heptamethyl-2,3,4,5,5a,8,9,11-octahydrodispiro[cyclopenta[a]phenanthrene-1,2':5',2''-bis(oxolane)]-5'',7,10-trione" ], "molecular_formula": "C30H42O7", "smiles": "CC1CC2(CC(C)C3(CC(O)C4(C)C5=C(C(=O)CC34C)C3(C)CCC(=O)C(C)(C)C3CC5O)O2)OC1=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0250082" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "IAYVIKGZPMCIGP-UHFFFAOYSA-N": { "inchikey": "IAYVIKGZPMCIGP-UHFFFAOYSA-N", "inchikey2D": "IAYVIKGZPMCIGP", "names": [ "7,10-dihydroxy-1-(7-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one" ], "molecular_formula": "C30H48O4", "smiles": "CC(=CCCC(C)C1CCC2(C)C3=C(C(O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3=O)CO", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0268517" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "CCFJNENDJAYEAK-QFXOYWFTSA-N": { "inchikey": "CCFJNENDJAYEAK-QFXOYWFTSA-N", "inchikey2D": "CCFJNENDJAYEAK", "names": [ "(2r,5e)-6-[(1s,3r,5s,10r,14s,15s,16s,18s)-16-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H40O7", "smiles": "C/C(=C\\C(=O)C[C@@H](C)C(=O)O)[C@@H]1[C@@H](O)C[C@@]2(C)[C@@]1(C)C(=O)C=C1[C@@]23O[C@@H]3C[C@@H]2C(C)(C)C(=O)CC[C@@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0045686" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "WRTHLDKBEDRUGJ-GSNIORKHSA-N": { "inchikey": "WRTHLDKBEDRUGJ-GSNIORKHSA-N", "inchikey2D": "WRTHLDKBEDRUGJ", "names": [ "(2r,6r)-6-[(1r,3s,3as,3br,5ar,9as,9bs,11ar)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-decahydrocyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid", "8β,9α-dihydroganoderic acid J" ], "molecular_formula": "C30H44O7", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)[C@@H]3C(=O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0273139", "npaid": "NPA006886" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KAIVGEVOBNIWLR-UHFFFAOYSA-N": { "inchikey": "KAIVGEVOBNIWLR-UHFFFAOYSA-N", "inchikey2D": "KAIVGEVOBNIWLR", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-5a,7-dihydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one" ], "molecular_formula": "C28H44O3", "smiles": "CC(C)C(C)C=CC(C)C1CCC2C3=CC(=O)C4(O)CC(O)CCC4(C)C3CCC21C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum", "[query-hint] Grifola", "[query-hint] Pleurotus", "[query-hint] Pleurotus eryngii" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0027653" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma", "INCLUDE:Grifola==Grifola", "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus eryngii==Pleurotus eryngii" ] }, "AKGNVAXELNDUHN-YSWYGVHRSA-N": { "inchikey": "AKGNVAXELNDUHN-YSWYGVHRSA-N", "inchikey2D": "AKGNVAXELNDUHN", "names": [ "(2r,6r)-6-[(1r,3ar,4s,5ar,7s,9as,11ar)-7-(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H46O8", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@@H](O)C[C@H]2C1(C)C)[C@]1(C)C(=O)C[C@H]([C@H](C)CC(=O)C[C@@H](C)C(=O)O)[C@@]1(C)CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0252197" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FRRMMEJOPQSLSE-HRGDRPPLSA-N": { "inchikey": "FRRMMEJOPQSLSE-HRGDRPPLSA-N", "inchikey2D": "FRRMMEJOPQSLSE", "names": [ "(+)-ganoderic acid s" ], "molecular_formula": "C32H48O5", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0043262" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ULDHMXUKGWMISQ-VIFPVBQESA-N": { "inchikey": "ULDHMXUKGWMISQ-VIFPVBQESA-N", "inchikey2D": "ULDHMXUKGWMISQ", "names": [ "carvone, (+)-" ], "molecular_formula": "C10H14O", "smiles": "C=C(C)[C@H]1CC=C(C)C(=O)C1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0027671" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XESIYWREAFIQIZ-YNVNTYHESA-N": { "inchikey": "XESIYWREAFIQIZ-YNVNTYHESA-N", "inchikey2D": "XESIYWREAFIQIZ", "names": [ "(2s,3s,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-1,2-dihydroxy-2-methylheptan-3-yl (2z,5e,9e)-2-[2-(2,5-dihydroxyphenyl)ethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoate" ], "molecular_formula": "C51H74O8", "smiles": "C/C(=C\\CC/C(C)=C/CC/C(=C/Cc1cc(O)ccc1O)C(=O)O[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)[C@@](C)(O)CO)CO", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0116360" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "FGUBEKCWBCCEIB-BIOTWYLMSA-N": { "inchikey": "FGUBEKCWBCCEIB-BIOTWYLMSA-N", "inchikey2D": "FGUBEKCWBCCEIB", "names": [ "(5e)-6-[(1r,3r,5r,10s,14r,15r,17r,18s)-17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl]-2-methyl-4-oxohept-5-enoic acid", "Applanoxidic acid E" ], "molecular_formula": "C30H40O7", "smiles": "C/C(=C\\C(=O)CC(C)C(=O)O)[C@H]1C[C@@H](O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0253594", "npaid": "NPA008052" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "LYPMWWKFDBLENE-MZEVCBTMSA-N": { "inchikey": "LYPMWWKFDBLENE-MZEVCBTMSA-N", "inchikey2D": "LYPMWWKFDBLENE", "names": [ "(2r,6r)-6-[(1r,3as,3br,5ar,9as,9bs,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-octahydro-1h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O7", "smiles": "C[C@H](CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)[C@@H]3C(=O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0044287" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QWJRHUXWTWGMGV-BVZHOHMASA-N": { "inchikey": "QWJRHUXWTWGMGV-BVZHOHMASA-N", "inchikey2D": "QWJRHUXWTWGMGV", "names": [ "methyl (2r,6s)-6-[(1s,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O8", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@](C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0271359" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FENJYNMETQOACE-UHFFFAOYSA-N": { "inchikey": "FENJYNMETQOACE-UHFFFAOYSA-N", "inchikey2D": "FENJYNMETQOACE", "names": [ "methyl 16-{3-[(acetyloxy)methyl]-7,11-dimethyldodeca-2,6,10-trien-1-yl}-10,14-dihydroxy-2-(prop-1-en-2-yl)-6,18-dioxapentacyclo[9.7.1.1¹,⁵.0⁷,¹⁹.0¹²,¹⁷]icosa-7(19),8,10,12,14,16-hexaene-5-carboxylate" ], "molecular_formula": "C40H48O8", "smiles": "C=C(C)C1CCC2(C(=O)OC)CC13Oc1c(CC=C(CCC=C(C)CCC=C(C)C)COC(C)=O)cc(O)cc1-c1c(O)ccc(c13)O2", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0124001" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "VCYWIBJFGBKEAQ-UHFFFAOYSA-N": { "inchikey": "VCYWIBJFGBKEAQ-UHFFFAOYSA-N", "inchikey2D": "VCYWIBJFGBKEAQ", "names": [ "3-ethyl-1-(2-methoxy-2-oxoethyl)cyclohex-2-ene-1-carboxylic acid" ], "molecular_formula": "C12H18O4", "smiles": "CCC1=CC(CC(=O)OC)(C(=O)O)CCC1", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0097808" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "VFCVARJMDQZNKD-AWPNBQRTSA-N": { "inchikey": "VFCVARJMDQZNKD-AWPNBQRTSA-N", "inchikey2D": "VFCVARJMDQZNKD", "names": [ "(2e,6s)-6-[(1r,3s,3ar,5ar,7r,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H46O4", "smiles": "C/C(=C\\CC[C@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0035658" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "IFIKIFMCHAMBFO-NROCJGDKSA-N": { "inchikey": "IFIKIFMCHAMBFO-NROCJGDKSA-N", "inchikey2D": "IFIKIFMCHAMBFO", "names": [ "(2s,5z)-2-methyl-4-oxo-6-[(1r,3r,5s,10s,14r,15r,18r)-6,6,10,14,18-pentamethyl-7,13,17-trioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl]hept-5-enoic acid" ], "molecular_formula": "C30H38O7", "smiles": "C/C(=C/C(=O)C[C@H](C)C(=O)O)[C@H]1CC(=O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CCC(=O)C(C)(C)[C@H]3C[C@H]3O[C@@]132", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0022693" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "FMQZBQQCIZBLHW-VJXLWLFUSA-N": { "inchikey": "FMQZBQQCIZBLHW-VJXLWLFUSA-N", "inchikey2D": "FMQZBQQCIZBLHW", "names": [ "(6r)-6-[(1r,3s,3ar,5ar,6s,7s,9as,11ar)-3,7-dihydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H46O7", "smiles": "CC(CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(CO)[C@@H]1CC3)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0135714" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "WTEVQBCEXWBHNA-JXMROGBWSA-N": { "inchikey": "WTEVQBCEXWBHNA-JXMROGBWSA-N", "inchikey2D": "WTEVQBCEXWBHNA", "names": [ "trans-Citral", "α-citral" ], "molecular_formula": "C10H16O", "smiles": "CC(C)=CCC/C(C)=C/C=O", "species": [ "Ganoderma lucidum", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "KNApSAcK", "LOTUS" ], "external_ids": { "lotus_id": "LTS0246122", "knapsack_cid": "C00003035" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma lucidum==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "ASDONKGQZJLQHS-DUYCCTPLSA-N": { "inchikey": "ASDONKGQZJLQHS-DUYCCTPLSA-N", "inchikey2D": "ASDONKGQZJLQHS", "names": [ "(2s,8e,12s)-12,18-dihydroxy-9,13,13-trimethyl-3,14-dioxatricyclo[13.3.1.1²,⁵]icosa-1(19),5(20),8,15,17-pentaen-4-one", "Australeol B" ], "molecular_formula": "C21H26O5", "smiles": "C/C1=C\\CCC2=C[C@H](OC2=O)c2cc(ccc2O)OC(C)(C)[C@@H](O)CC1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0126883", "npaid": "NPA026948" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "YOMOWVJLKFVSNZ-BEMZHJGWSA-N": { "inchikey": "YOMOWVJLKFVSNZ-BEMZHJGWSA-N", "inchikey2D": "YOMOWVJLKFVSNZ", "names": [ "(1s,3as,4r,5ar,9as,11ar)-4-methoxy-3a,6,6,9a,11a-pentamethyl-1-[(2r,5r,6r)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C31H52O5", "smiles": "CO[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@@]1(C)CC[C@@H]([C@H](C)CC[C@@H](O)[C@](C)(O)CO)[C@@]1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0023249" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "UCVMOQJIKVEFTE-UHFFFAOYSA-N": { "inchikey": "UCVMOQJIKVEFTE-UHFFFAOYSA-N", "inchikey2D": "UCVMOQJIKVEFTE", "names": [ "6-[7-(acetyloxy)-11-hydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C32H44O9", "smiles": "CC(=O)OC1CCC2(C)C3=C(C(=O)CC2C1(C)C)C1(C)C(=O)CC(C(C)CC(=O)CC(C)C(=O)O)C1(C)C(O)C3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0037444" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "PHYFQTYBJUILEZ-UHFFFAOYSA-N": { "inchikey": "PHYFQTYBJUILEZ-UHFFFAOYSA-N", "inchikey2D": "PHYFQTYBJUILEZ", "names": [ "1,3-bis(octadec-9-enoyloxy)propan-2-yl octadec-9-enoate" ], "molecular_formula": "C57H104O6", "smiles": "CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0265332" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "SCJKEDSTONEJPI-UHFFFAOYSA-N": { "inchikey": "SCJKEDSTONEJPI-UHFFFAOYSA-N", "inchikey2D": "SCJKEDSTONEJPI", "names": [ "2,6a-dihydroxy-6,6-dimethyl-7h,8h-benzo[c]isochromen-9-one" ], "molecular_formula": "C15H16O4", "smiles": "CC1(C)Oc2ccc(O)cc2C2=CC(=O)CCC21O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0035923" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "QIDJKJCRXFDRJP-MKDNETQUSA-N": { "inchikey": "QIDJKJCRXFDRJP-MKDNETQUSA-N", "inchikey2D": "QIDJKJCRXFDRJP", "names": [ "methyl 6-[(1s,9as,11s,11ar)-3,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O9", "smiles": "COC(=O)C(C)CC(=O)CC(C)(O)[C@H]1CC(O)C2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0040744" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "HOOKULHKMWTXDO-GRSHGNNSSA-N": { "inchikey": "HOOKULHKMWTXDO-GRSHGNNSSA-N", "inchikey2D": "HOOKULHKMWTXDO", "names": [ "(2z)-5-(acetyloxy)-6-{7-hydroxy-4-methoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C33H52O6", "smiles": "COC1CC2C(C)(CCC(O)C2(C)C)C2=C1C1(C)CCC(C(C)C(C/C=C(/C)C(=O)O)OC(C)=O)C1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0038429" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "LPWWIRLWNQPIDU-UHFFFAOYSA-N": { "inchikey": "LPWWIRLWNQPIDU-UHFFFAOYSA-N", "inchikey2D": "LPWWIRLWNQPIDU", "names": [ "methyl 6-{4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoate" ], "molecular_formula": "C31H42O7", "smiles": "COC(=O)C(C)CC(=O)C=C(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0128674" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "YTVGSCZIHGRVAV-PJDLXUGISA-N": { "inchikey": "YTVGSCZIHGRVAV-PJDLXUGISA-N", "inchikey2D": "YTVGSCZIHGRVAV", "names": [ "(2r,6s)-6-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H42O7", "smiles": "C[C@@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0253983" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DMGHVFKVXXJZON-ILJLLWITSA-N": { "inchikey": "DMGHVFKVXXJZON-ILJLLWITSA-N", "inchikey2D": "DMGHVFKVXXJZON", "names": [ "methyl (2r,6s)-6-[(1r,3ar,4s,5ar,9as,11s,11ar)-4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O8", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0255751" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "YENKFKJTSHOLIL-UHFFFAOYSA-N": { "inchikey": "YENKFKJTSHOLIL-UHFFFAOYSA-N", "inchikey2D": "YENKFKJTSHOLIL", "names": [ "5-(acetyloxy)-6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H48O6", "smiles": "CC(=O)OC(CC=C(C)C(=O)O)C(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0037831" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "ALBCWJCDEWHIEL-AUGCJBFRSA-N": { "inchikey": "ALBCWJCDEWHIEL-AUGCJBFRSA-N", "inchikey2D": "ALBCWJCDEWHIEL", "names": [ "(+)-ganoapplanin", "(1's,2r,5's,6'r,12's)-7,12',14-trihydroxy-5'-methoxy-3,4',8',10-tetraoxaspiro[tetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-2,3'-tricyclo[4.3.3.0¹,⁶]dodecane]-1(14),4,6,8(16),11(15),12-hexaene-9,9'-dione" ], "molecular_formula": "C24H20O10", "smiles": "CO[C@H]1O[C@@]2(C[C@@]34CC[C@H](O)[C@@]13COC4=O)Oc1ccc(O)c3c(=O)oc4ccc(O)c2c4c13", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0275878", "npaid": "NPA017820" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "WTCJIOHXEZDUFF-UHFFFAOYSA-N": { "inchikey": "WTCJIOHXEZDUFF-UHFFFAOYSA-N", "inchikey2D": "WTCJIOHXEZDUFF", "names": [ "6-{3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O6", "smiles": "CC(=CCCC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0039532" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "QXXQSVUNSUCVFA-UHFFFAOYSA-N": { "inchikey": "QXXQSVUNSUCVFA-UHFFFAOYSA-N", "inchikey2D": "QXXQSVUNSUCVFA", "names": [ "3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3-hydroxy-6-(prop-1-en-2-yl)oxan-2-one" ], "molecular_formula": "C16H18O6", "smiles": "C=C(C)C1CCC(O)(CC(=O)c2cc(O)ccc2O)C(=O)O1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0250689" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "CSKGXFUFBCYWJL-HKLUPHJKSA-N": { "inchikey": "CSKGXFUFBCYWJL-HKLUPHJKSA-N", "inchikey2D": "CSKGXFUFBCYWJL", "names": [ "3-[(1r,2s,3r,5r,6r,10s,11s,13r)-3-hydroxy-2,6,10-trimethyl-5-[(1e)-1-[(2r,4s)-4-methyl-5-oxooxolan-2-yl]prop-1-en-2-yl]-7-oxo-11-(prop-1-en-2-yl)-14-oxatetracyclo[7.5.0.0¹,¹³.0²,⁶]tetradec-8-en-10-yl]propanoic acid", "Gibbosicolid F" ], "molecular_formula": "C30H40O7", "smiles": "C=C(C)[C@@H]1C[C@H]2O[C@@]23C(=CC(=O)[C@]2(C)[C@@H](/C(C)=C/[C@H]4C[C@H](C)C(=O)O4)C[C@@H](O)[C@]23C)[C@@]1(C)CCC(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0274015", "npaid": "NPA025435" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "YCWGPALSXRBKTM-VBCUQECFSA-N": { "inchikey": "YCWGPALSXRBKTM-VBCUQECFSA-N", "inchikey2D": "YCWGPALSXRBKTM", "names": [ "(2e,6r)-6-[(1r,3s,3ar,7r,9as,11ar)-3-(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid", "Ganoderique acid X" ], "molecular_formula": "C32H48O5", "smiles": "CC(=O)O[C@H]1C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]2(C)CC=C3C(=CCC4C(C)(C)[C@H](O)CC[C@]34C)[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0243950", "npaid": "NPA013110" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DMRGTRXELXADPE-OVLDVIIHSA-N": { "inchikey": "DMRGTRXELXADPE-OVLDVIIHSA-N", "inchikey2D": "DMRGTRXELXADPE", "names": [ "(1s,3r,3as,3bs,5ar,7s,9as,11ar)-1-acetyl-3,3b,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h-cyclopenta[a]phenanthrene-4,11-dione", "Applanone A" ], "molecular_formula": "C24H34O6", "smiles": "CC(=O)[C@H]1C[C@@H](O)[C@@]2(C)[C@]3(O)C(=O)C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC(=O)[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0121718", "npaid": "NPA025890" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "GYRDSOABOBCYST-UHFFFAOYSA-N": { "inchikey": "GYRDSOABOBCYST-UHFFFAOYSA-N", "inchikey2D": "GYRDSOABOBCYST", "names": [ "4-{4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}pentanoic acid" ], "molecular_formula": "C27H38O7", "smiles": "CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0050385" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "XIMQDJNNBMWDIH-NVNXHKNCSA-N": { "inchikey": "XIMQDJNNBMWDIH-NVNXHKNCSA-N", "inchikey2D": "XIMQDJNNBMWDIH", "names": [ "(4r)-4-[(1r,3ar,4s,5ar,7s,9as,11r,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid" ], "molecular_formula": "C27H40O7", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0128369" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FENJYNMETQOACE-ALVDNQAZSA-N": { "inchikey": "FENJYNMETQOACE-ALVDNQAZSA-N", "inchikey2D": "FENJYNMETQOACE", "names": [ "Cochlearoid A", "methyl (1r,2s,5s)-16-[(2z,6e)-3-[(acetyloxy)methyl]-7,11-dimethyldodeca-2,6,10-trien-1-yl]-10,14-dihydroxy-2-(prop-1-en-2-yl)-6,18-dioxapentacyclo[9.7.1.1¹,⁵.0⁷,¹⁹.0¹²,¹⁷]icosa-7(19),8,10,12,14,16-hexaene-5-carboxylate" ], "molecular_formula": "C40H48O8", "smiles": "C=C(C)[C@@H]1CC[C@@]2(C(=O)OC)C[C@@]13Oc1c(C/C=C(/CC/C=C(\\C)CCC=C(C)C)COC(C)=O)cc(O)cc1-c1c(O)ccc(c13)O2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0248640", "npaid": "NPA007796" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "ABBJCZDQCWRNMS-INXFJSGSSA-N": { "inchikey": "ABBJCZDQCWRNMS-INXFJSGSSA-N", "inchikey2D": "ABBJCZDQCWRNMS", "names": [ "(2z)-6-[(1r,3s,3ar,4s,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhepta-2,6-dienoic acid", "Ganoleucoin S" ], "molecular_formula": "C30H42O7", "smiles": "C=C(CC(O)/C=C(/C)C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0050640", "npaid": "NPA027845" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "SSISLAMFCZQHEH-UHFFFAOYSA-N": { "inchikey": "SSISLAMFCZQHEH-UHFFFAOYSA-N", "inchikey2D": "SSISLAMFCZQHEH", "names": [ "5-(acetyloxy)-6-[7-(acetyloxy)-3-hydroxy-4-methoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C35H54O8", "smiles": "COC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)C(O)CC(C(C)C(CC=C(C)C(=O)O)OC(C)=O)C1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0049679" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "KSNKHYBQEAKBLD-UGUXJHLISA-N": { "inchikey": "KSNKHYBQEAKBLD-UGUXJHLISA-N", "inchikey2D": "KSNKHYBQEAKBLD", "names": [ "2-methyl-4-oxo-6-[(1r,3r,5r,10s,14r,15r,18r)-6,6,10,14,18-pentamethyl-7,13,17-trioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl]heptanoic acid", "Applanoxidic acid C" ], "molecular_formula": "C30H40O7", "smiles": "CC(CC(=O)CC(C)[C@H]1CC(=O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0025130", "npaid": "NPA013705" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "DNYQAKIYBSPDIF-UHFFFAOYSA-N": { "inchikey": "DNYQAKIYBSPDIF-UHFFFAOYSA-N", "inchikey2D": "DNYQAKIYBSPDIF", "names": [ "methyl 11-hydroxy-8-oxo-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-6-carboxylate" ], "molecular_formula": "C14H14O5", "smiles": "COC(=O)C1CCC2Oc3ccc(O)cc3C(=O)C21", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0039923" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "WXOJULRVRHWMGT-JLQSGANNSA-N": { "inchikey": "WXOJULRVRHWMGT-JLQSGANNSA-N", "inchikey2D": "WXOJULRVRHWMGT", "names": [ "(2r,3r,4s,5s)-2-(6-aminopurin-9-yl)-5-(methanesulfinylmethyl)oxolane-3,4-diol" ], "molecular_formula": "C11H15N5O4S", "smiles": "C[S+]([O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0041369" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "AQUHIKXTCOSRFY-UHFFFAOYSA-N": { "inchikey": "AQUHIKXTCOSRFY-UHFFFAOYSA-N", "inchikey2D": "AQUHIKXTCOSRFY", "names": [ "6-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acid" ], "molecular_formula": "C30H44O3", "smiles": "CC(=CCCC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0243994" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "NHUKTMHZMVLCCE-UHFFFAOYSA-N": { "inchikey": "NHUKTMHZMVLCCE-UHFFFAOYSA-N", "inchikey2D": "NHUKTMHZMVLCCE", "names": [ "nonane; nonene" ], "molecular_formula": "C18H38", "smiles": "C=CCCCCCCC.CCCCCCCCC", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0020337" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "MOGCKMACSLYDKK-UHFFFAOYSA-N": { "inchikey": "MOGCKMACSLYDKK-UHFFFAOYSA-N", "inchikey2D": "MOGCKMACSLYDKK", "names": [ "ethyl 6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C32H46O7", "smiles": "CCOC(=O)C(C)CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0245785" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SBGVGAGMQOZWRL-UHFFFAOYSA-N": { "inchikey": "SBGVGAGMQOZWRL-UHFFFAOYSA-N", "inchikey2D": "SBGVGAGMQOZWRL", "names": [ "3a,6,6,9a,11a-pentamethyl-1-{6-methyl-1-[(3,4,5-trihydroxyoxan-2-yl)oxy]hept-5-en-2-yl}-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl acetate" ], "molecular_formula": "C37H60O7", "smiles": "CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(CCC=C(C)C)COC2OCC(O)C(O)C2O)C1(C)CC3", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0051387" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "TXJDUJRYAVNVFX-UHFFFAOYSA-N": { "inchikey": "TXJDUJRYAVNVFX-UHFFFAOYSA-N", "inchikey2D": "TXJDUJRYAVNVFX", "names": [ "3a-chloro-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-tetrahydrocyclopenta[c]furan-1-one" ], "molecular_formula": "C15H15ClO6", "smiles": "O=C(CC12CCC(O)C1(Cl)COC2=O)c1cc(O)ccc1O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0259917" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "ZGLOKAFKRCGNKC-UHFFFAOYSA-N": { "inchikey": "ZGLOKAFKRCGNKC-UHFFFAOYSA-N", "inchikey2D": "ZGLOKAFKRCGNKC", "names": [ "16-hydroxy-7,11-dimethyl-12-oxatetracyclo[9.7.1.0⁵,¹⁹.0¹³,¹⁸]nonadeca-5(19),7,13,15,17-pentaen-3-one" ], "molecular_formula": "C20H22O3", "smiles": "CC1=CCCC2(C)Oc3ccc(O)cc3C3CC(=O)CC(=C32)C1", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0105020" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "PLCLICIRIHEOIB-CRPGAVSGSA-N": { "inchikey": "PLCLICIRIHEOIB-CRPGAVSGSA-N", "inchikey2D": "PLCLICIRIHEOIB", "names": [ "methyl (2r,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H42O7", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0090499" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FXEFUBDUKMWZAN-PGNRDARCSA-N": { "inchikey": "FXEFUBDUKMWZAN-PGNRDARCSA-N", "inchikey2D": "FXEFUBDUKMWZAN", "names": [ "(9r,13r,14r,16r,17r,19s)-19-hydroxy-8,8,13,17-tetramethyl-16-[(1s)-1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-oxo-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-14-yl acetate", "Colossolactone F" ], "molecular_formula": "C32H42O7", "smiles": "CC(=O)O[C@@H]1C[C@H]([C@H](C)C2CC=C(C)C(=O)O2)[C@@]2(C)C[C@H](O)C3=C(CC[C@@H]4C(=C3)C=CC(=O)OC4(C)C)[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0127671", "npaid": "NPA001458" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "VQYWTFJFAJFDIW-UVIHMKCZSA-N": { "inchikey": "VQYWTFJFAJFDIW-UVIHMKCZSA-N", "inchikey2D": "VQYWTFJFAJFDIW", "names": [ "(2e,5r)-6-[(1r,3s,3ar,7r,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-hydroxy-2-methylhept-2-enoic acid", "3α,15α,22α-trihydroxylanosta-7,9(11),24-trien-26-oic acid" ], "molecular_formula": "C30H46O5", "smiles": "C/C(=C\\C[C@@H](O)C(C)[C@H]1C[C@H](O)[C@@]2(C)C3=CCC4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0086465", "npaid": "NPA004210" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "DBCOZDMIVDWFEY-PMTMIFSDSA-N": { "inchikey": "DBCOZDMIVDWFEY-PMTMIFSDSA-N", "inchikey2D": "DBCOZDMIVDWFEY", "names": [ "(1r,3r,5r,10s,14r,15r,17s,18s)-17-hydroxy-6,6,10,14,18-pentamethyl-15-[(1e)-1-[(2r,4s)-4-methyl-5-oxooxolan-2-yl]prop-1-en-2-yl]-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-ene-7,13-dione", "Gibbosicolid B" ], "molecular_formula": "C30H40O6", "smiles": "C/C(=C\\[C@H]1C[C@H](C)C(=O)O1)[C@H]1C[C@H](O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0264203", "npaid": "NPA025431" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "BPJPBLZKOVIJQD-YAAFDISCSA-N": { "inchikey": "BPJPBLZKOVIJQD-YAAFDISCSA-N", "inchikey2D": "BPJPBLZKOVIJQD", "names": [ "6-[(3ar,9as,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O8", "smiles": "CC(CC(=O)CC(C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C(O)[C@]12C)[C@@]1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0086369" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "IAYVIKGZPMCIGP-FMGHJBACSA-N": { "inchikey": "IAYVIKGZPMCIGP-FMGHJBACSA-N", "inchikey2D": "IAYVIKGZPMCIGP", "names": [ "(1r,3ar,5ar,7s,9as,10r,11ar)-7,10-dihydroxy-1-[(5e)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one", "3β,11α-dihydroxy-7-oxo-5α-lanost-8,24E-dien-26-ol" ], "molecular_formula": "C30H48O4", "smiles": "C/C(=C\\CCC(C)[C@H]1CC[C@@]2(C)C3=C([C@H](O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0123557", "npaid": "NPA015962" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "APQUUNCMRUQJLX-KMUNFCNLSA-N": { "inchikey": "APQUUNCMRUQJLX-KMUNFCNLSA-N", "inchikey2D": "APQUUNCMRUQJLX", "names": [ "(+)-cochlearol A", "(1s,10s,13r)-3,6-dihydroxy-8-oxo-14,16-dioxatetracyclo[11.2.1.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-10-carboxylic acid" ], "molecular_formula": "C15H14O7", "smiles": "O=C1C[C@@]2(C(=O)O)CC[C@@H]3OC[C@]2(O3)c2c(O)ccc(O)c21", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0104469", "npaid": "NPA001268" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "HHCQRNABFNZPFW-PVWQPZRVSA-N": { "inchikey": "HHCQRNABFNZPFW-PVWQPZRVSA-N", "inchikey2D": "HHCQRNABFNZPFW", "names": [ "(6s)-6-[(1s,3ar,4s,7s,9as,11s,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid" ], "molecular_formula": "C30H44O9", "smiles": "CC(CC(=O)C[C@](C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0252641" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SZXITMVEKFHHKF-GAKIQRCLSA-N": { "inchikey": "SZXITMVEKFHHKF-GAKIQRCLSA-N", "inchikey2D": "SZXITMVEKFHHKF", "names": [ "(1'r,2s,4s,5'r,7's,10's,13'r,17's,20'r,21's)-7',17',20'-trihydroxy-1',4,6',6',10',17',21'-heptamethyl-14'-oxaspiro[oxolane-2,15'-pentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicosane]-2'(11'),18'-diene-3',5,12'-trione" ], "molecular_formula": "C30H40O8", "smiles": "C[C@H]1C[C@@]2(C[C@](C)(O)C3=C[C@@H](O)[C@@]4(C)C5=C(C(=O)[C@H](O2)[C@]34C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC5=O)OC1=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0263335" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "FROUXXYVOAIKFY-XLGZTQCLSA-N": { "inchikey": "FROUXXYVOAIKFY-XLGZTQCLSA-N", "inchikey2D": "FROUXXYVOAIKFY", "names": [ "methyl (2r,6r)-6-[(1s,3s,3ar,5ar,7s,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H48O6", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0253457" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "VGTTXXNWKFRCEF-RYTWZWMPSA-N": { "inchikey": "VGTTXXNWKFRCEF-RYTWZWMPSA-N", "inchikey2D": "VGTTXXNWKFRCEF", "names": [ "(4r)-4-[(1s,3r,6r,7r,12s,13s)-12-(3-methoxy-3-oxopropyl)-3,7-dimethyl-9-oxo-13-(prop-1-en-2-yl)-15-oxatetracyclo[10.2.1.0²,¹⁰.0³,⁷]pentadec-2(10)-en-6-yl]pentanoic acid", "Cochlate B" ], "molecular_formula": "C28H40O6", "smiles": "C=C(C)[C@@H]1C[C@@H]2O[C@@]1(CCC(=O)OC)CC1=C2[C@]2(C)CC[C@H]([C@H](C)CCC(=O)O)[C@@]2(C)CC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0106769", "npaid": "NPA016538" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "QECQJYAIIIIKJB-LXVCEMEZSA-N": { "inchikey": "QECQJYAIIIIKJB-LXVCEMEZSA-N", "inchikey2D": "QECQJYAIIIIKJB", "names": [ "(2r,5z)-6-[(1s,3as,4r,5as,7r,9ar,11as)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid" ], "molecular_formula": "C30H42O7", "smiles": "C/C(=C/C(=O)C[C@@H](C)C(=O)O)[C@@H]1CC(=O)[C@]2(C)C3=C(C(=O)C[C@@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C[C@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0045562" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "BIAWVSQLGIZZHL-UHFFFAOYSA-N": { "inchikey": "BIAWVSQLGIZZHL-UHFFFAOYSA-N", "inchikey2D": "BIAWVSQLGIZZHL", "names": [ "1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3-formylcyclohex-3-ene-1-carboxylic acid" ], "molecular_formula": "C16H16O6", "smiles": "O=CC1=CCCC(CC(=O)c2cc(O)ccc2O)(C(=O)O)C1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0261802" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "SZPMTYUTLPPZMS-UHFFFAOYSA-N": { "inchikey": "SZPMTYUTLPPZMS-UHFFFAOYSA-N", "inchikey2D": "SZPMTYUTLPPZMS", "names": [ "13-(dimethoxymethyl)-8-oxa-15-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(15),2,4,6,12(16),13-hexaen-4-ol" ], "molecular_formula": "C17H17NO4", "smiles": "COC(OC)c1cnc2c3c1CCC3Oc1ccc(O)cc1-2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0109426" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SLJLUCPQAQEAOL-UHFFFAOYSA-N": { "inchikey": "SLJLUCPQAQEAOL-UHFFFAOYSA-N", "inchikey2D": "SLJLUCPQAQEAOL", "names": [ "[1-methoxy-5-(2-methoxyethyl)-2,4,6-trimethyl-1,3-dihydroinden-2-yl]methanol" ], "molecular_formula": "C17H26O3", "smiles": "COCCc1c(C)cc2c(c1C)CC(C)(CO)C2OC", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0022324" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "SSISLAMFCZQHEH-PWHSZEGYSA-N": { "inchikey": "SSISLAMFCZQHEH-PWHSZEGYSA-N", "inchikey2D": "SSISLAMFCZQHEH", "names": [ "(2e,5s,6s)-6-[(1r,3s,3ar,4r,5ar,7r,9as,11ar)-7-(acetyloxy)-3-hydroxy-4-methoxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C35H54O8", "smiles": "CO[C@@H]1C[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](O)C[C@H]([C@H](C)[C@H](C/C=C(\\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0117378" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QIDJKJCRXFDRJP-UHFFFAOYSA-N": { "inchikey": "QIDJKJCRXFDRJP-UHFFFAOYSA-N", "inchikey2D": "QIDJKJCRXFDRJP", "names": [ "methyl 6-{3,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O9", "smiles": "COC(=O)C(C)CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0045618" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "KIHVGBMPKKDQCU-VCJUVLLLSA-N": { "inchikey": "KIHVGBMPKKDQCU-VCJUVLLLSA-N", "inchikey2D": "KIHVGBMPKKDQCU", "names": [ "(6r)-6-[(1r,3s,3ar,7s,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid", "Ganolucidate F" ], "molecular_formula": "C30H46O6", "smiles": "CC(=CC(O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma sinense" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0250136", "npaid": "NPA008409" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma sinense==Ganoderma" ] }, "JTBDTJVGIGEPFI-OBCYCKOUSA-N": { "inchikey": "JTBDTJVGIGEPFI-OBCYCKOUSA-N", "inchikey2D": "JTBDTJVGIGEPFI", "names": [ "(2e,4s,6r)-6-[(1r,3s,3ar,4s,5ar,9as,11ar)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxy-2-methylhept-2-enoic acid", "Ganoderic acid γ" ], "molecular_formula": "C30H44O7", "smiles": "C/C(=C\\[C@@H](O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0263694", "npaid": "NPA010048" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "QLPXRZYNNFETED-UHFFFAOYSA-N": { "inchikey": "QLPXRZYNNFETED-UHFFFAOYSA-N", "inchikey2D": "QLPXRZYNNFETED", "names": [ "6-[3,11-bis(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O8", "smiles": "CC(=O)OC1CC(C(C)CCC=C(C)C(=O)O)C2(C)C(OC(C)=O)C(=O)C3=C(CCC4C3(C)CCC(O)C4(C)C)C12C", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0116947" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "XUPCBKGIPJPDGW-VZTATICASA-N": { "inchikey": "XUPCBKGIPJPDGW-VZTATICASA-N", "inchikey2D": "XUPCBKGIPJPDGW", "names": [ "glutinone" ], "molecular_formula": "C30H48O", "smiles": "CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0112321" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "DRCONWGQHWLZJX-VFCZRXNFSA-N": { "inchikey": "DRCONWGQHWLZJX-VFCZRXNFSA-N", "inchikey2D": "DRCONWGQHWLZJX", "names": [ "(2s,6s)-6-hydroxy-2-methyl-4-oxo-6-[(1s,3s,5r,7r,8r,10s,14r,17r,18s)-7,8,17-trihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]heptanoic acid" ], "molecular_formula": "C30H42O9", "smiles": "C[C@@H](CC(=O)C[C@](C)(O)C1=C[C@@H](O)[C@@]2(C)[C@]34O[C@H]3C[C@H]3C(C)(C)[C@@H](O)[C@H](O)C[C@]3(C)C4=CC(=O)[C@]12C)C(=O)O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma applanatum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0092416" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma applanatum==Ganoderma" ] }, "UVKCTPQUWRXRPX-AFQIALMBSA-N": { "inchikey": "UVKCTPQUWRXRPX-AFQIALMBSA-N", "inchikey2D": "UVKCTPQUWRXRPX", "names": [ "methyl (2r,6r)-6-[(1r,3ar,4s,5ar,9as,11ar)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate" ], "molecular_formula": "C31H44O7", "smiles": "COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0264903" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "JEVOHZHOHSNOGF-FUOOPXQTSA-N": { "inchikey": "JEVOHZHOHSNOGF-FUOOPXQTSA-N", "inchikey2D": "JEVOHZHOHSNOGF", "names": [ "(1s,3s,3ar,4s,5ar,7s,9as,11ar)-1-acetyl-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-10-one" ], "molecular_formula": "C24H36O5", "smiles": "CC(=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O", "species": [ "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0263112" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "SFRPCICFHIWKRP-RNGQGBMUSA-N": { "inchikey": "SFRPCICFHIWKRP-RNGQGBMUSA-N", "inchikey2D": "SFRPCICFHIWKRP", "names": [ "(22Z,24Z)-13-hydroxy-3-oxo-14(13→12)abeolanosta-8,22,24-trien-26,23-olide", "(5z)-5-[(2r)-2-[(6br,9r,11bs)-10-hydroxy-4,4,6b,10,11b-pentamethyl-3-oxo-1h,2h,4ah,5h,6h,7h,8h,9h,10ah,11h-cyclohexa[a]fluoren-9-yl]propylidene]-3-methylfuran-2-one" ], "molecular_formula": "C30H42O4", "smiles": "CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC3C2(C)O)[C@@]2(C)CCC(=O)C(C)(C)C2CC4)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma", "[query-hint] Ganoderma lucidum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0224977", "npaid": "NPA013619" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma lucidum==Ganoderma" ] }, "FYIANMAHJHGDPG-XRUYFVBTSA-N": { "inchikey": "FYIANMAHJHGDPG-XRUYFVBTSA-N", "inchikey2D": "FYIANMAHJHGDPG", "names": [ "[(1r,2s,8r,12r,15r,16r,18r)-7,7,12,16-tetramethyl-15-[(1s)-1-[(2s)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-oxo-6,19-dioxapentacyclo[9.8.0.0¹,¹⁸.0²,⁸.0¹²,¹⁶]nonadec-10-en-2-yl]methyl acetate" ], "molecular_formula": "C32H44O7", "smiles": "CC(=O)OC[C@]12CCC(=O)OC(C)(C)[C@@H]1CC=C1[C@@]23O[C@@H]3C[C@]2(C)[C@@H]([C@H](C)[C@@H]3CC=C(C)C(=O)O3)CC[C@@]12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0216689" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "IDZRCTSIODKGSC-WJDWYOEMSA-N": { "inchikey": "IDZRCTSIODKGSC-WJDWYOEMSA-N", "inchikey2D": "IDZRCTSIODKGSC", "names": [ "(6s)-3-methyl-6-[(1s)-1-[(8r,12r,15r,16r)-7,7,12,16-tetramethyl-6-oxotetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(11),2,4-trien-15-yl]ethyl]-5,6-dihydropyran-2-one", "Ganodermalactone A" ], "molecular_formula": "C30H40O3", "smiles": "CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(C=C5C=CC(=O)C(C)(C)[C@@H]5CC4)CC[C@]23C)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0128154", "npaid": "NPA008583" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "UVAQIPOTFIONBQ-YZQFCQQCSA-N": { "inchikey": "UVAQIPOTFIONBQ-YZQFCQQCSA-N", "inchikey2D": "UVAQIPOTFIONBQ", "names": [ "(22S,24E)-15α,22-diacetoxy-3-oxolanosta-8,24-dien-26-oic acid", "(2e,5s,6s)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O7", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0131525", "npaid": "NPA021831" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "CJPRYGHXZADIKU-AYBHNRCBSA-N": { "inchikey": "CJPRYGHXZADIKU-AYBHNRCBSA-N", "inchikey2D": "CJPRYGHXZADIKU", "names": [ "(22S,24E)-7α-hydroxy-3β,15α,22-triacetoxylanosta-8,24-dien-26-oic acid", "(2e,5s,6s)-6-[(1r,3s,3ar,4r,5ar,7s,9as,11ar)-3,7-bis(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C36H54O9", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0119904", "npaid": "NPA021836" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "OYHXDUWERFEPRP-UHFFFAOYSA-N": { "inchikey": "OYHXDUWERFEPRP-UHFFFAOYSA-N", "inchikey2D": "OYHXDUWERFEPRP", "names": [ "6-[7-(acetyloxy)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H50O6", 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"(2e,5s,6s)-6-[(1r,3s,3ar,4r,5ar,7s,9as,11ar)-4,7-bis(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C36H54O9", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]3OC(C)=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0261759", "npaid": "NPA022292" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "DFTRGMQOYOBJLB-FKGFWEJJSA-N": { "inchikey": "DFTRGMQOYOBJLB-FKGFWEJJSA-N", "inchikey2D": "DFTRGMQOYOBJLB", "names": [ "(22S,24E)-3β,22-diacetoxy-7α-hydroxylanosta-8,24-dien-26-oic acid", "(2e,5s,6s)-6-[(1r,3ar,4r,5ar,7s,9as,11ar)-7-(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H52O7", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0206202", "npaid": "NPA022293" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "WGONJMYNVMROOD-FBFSRSFHSA-N": { "inchikey": "WGONJMYNVMROOD-FBFSRSFHSA-N", "inchikey2D": "WGONJMYNVMROOD", "names": [ "(24E)-7α-acetoxy-15α-hydroxy-3-oxolanosta-8,24-dien-26-oic acid", "(2e,6r)-6-[(1r,3s,3ar,4r,5ar,9as,11ar)-4-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H48O6", "smiles": "CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](O)C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]1(C)CC2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0193310", "npaid": "NPA021821" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "KRDFFNXFJUTIID-FEOWPDGMSA-N": { "inchikey": "KRDFFNXFJUTIID-FEOWPDGMSA-N", "inchikey2D": "KRDFFNXFJUTIID", "names": [ "(2r,4s,10s,14r,15r,17r,18r,20s)-20-hydroxy-9,9,14,18-tetramethyl-17-[(1s)-1-[(2s)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-oxo-3,8-dioxapentacyclo[11.7.0.0²,⁴.0⁴,¹⁰.0¹⁴,¹⁸]icosa-1(13),5-dien-15-yl acetate" ], 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"(6s)-6-[(1s)-1-[(1r,3ar,5ar,7s,9ar,11ar)-7-hydroxy-9a-(hydroxymethyl)-3a,6,6,11a-tetramethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl]-3-methyl-5,6-dihydropyran-2-one", "Ganodermalactone E" ], "molecular_formula": "C30H46O4", "smiles": "CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(CO)CC[C@H](O)C(C)(C)[C@@H]2CC4)OC1=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0138455", "npaid": "NPA017631" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "CFKGOPCMHMUILV-UHFFFAOYSA-N": { "inchikey": "CFKGOPCMHMUILV-UHFFFAOYSA-N", "inchikey2D": "CFKGOPCMHMUILV", "names": [ "16-acetyl-14-hydroxy-8,8,13,17-tetramethyl-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-6-one" ], "molecular_formula": "C24H32O4", "smiles": 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"(4r)-4-[(1s,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-hydroxypentanoic acid" ], "molecular_formula": "C27H40O7", "smiles": "CC1(C)[C@@H](O)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)C(=O)C[C@H]([C@](C)(O)CCC(=O)O)[C@@]1(C)CC3=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0234614" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "PKHFZHSYUYWRMN-UANBTYQASA-N": { "inchikey": "PKHFZHSYUYWRMN-UANBTYQASA-N", "inchikey2D": "PKHFZHSYUYWRMN", "names": [ "Ganodermalactone B", "[(2r,8r,12r,15r,16r)-7,7,12,16-tetramethyl-15-[(1s)-1-[(2s)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-1(11)-en-2-yl]methyl acetate" ], "molecular_formula": "C32H46O6", "smiles": 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"(9s,13r,14r,16s,17r)-16-acetyl-9,14-dihydroxy-8,8,13,17-tetramethyl-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-6-one" ], "molecular_formula": "C24H32O5", "smiles": "CC(=O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C=C4C=CC(=O)OC(C)(C)[C@]4(O)CC3)CC[C@]12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0070611" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "CKUAGNVFVXEMKL-UHFFFAOYSA-N": { "inchikey": "CKUAGNVFVXEMKL-UHFFFAOYSA-N", "inchikey2D": "CKUAGNVFVXEMKL", "names": [ "9,9,14,18-tetramethyl-17-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-7,20-dioxo-3,8-dioxapentacyclo[11.7.0.0²,⁴.0⁴,¹⁰.0¹⁴,¹⁸]icosa-1(13),5-dien-15-yl acetate" ], "molecular_formula": "C32H40O8", "smiles": "CC(=O)OC1CC(C(C)C2CC=C(C)C(=O)O2)C2(C)CC(=O)C3=C(CCC4C(C)(C)OC(=O)C=CC45OC35)C12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0212368" }, 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"(2r,3s,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dihydroxy-2-methylheptyl (2z)-2-[2-(2,5-dihydroxyphenyl)ethylidene]-6,10-dimethylundeca-5,9-dienoate" ], "molecular_formula": "C51H74O8", "smiles": "CC(C)=CCCC(C)=CCC/C(=C/Cc1cc(O)ccc1O)C(=O)OC[C@@](C)(O)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0230720" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "RMOSHOXMAZYZOK-BQNIITSRSA-N": { "inchikey": "RMOSHOXMAZYZOK-BQNIITSRSA-N", "inchikey2D": "RMOSHOXMAZYZOK", "names": [ "(6r)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enal" ], "molecular_formula": "C30H46O2", "smiles": "CC(C=O)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0222535" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "CLMBHTUJLOCTAS-YJDOZGGQSA-N": { "inchikey": "CLMBHTUJLOCTAS-YJDOZGGQSA-N", "inchikey2D": "CLMBHTUJLOCTAS", "names": [ "(1r,3ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2r)-4-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-yl]-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-3-one", "Ganodermanondiol 24,25-acetonide" ], "molecular_formula": "C33H52O4", "smiles": "C[C@H](CCC1OC(C)(C)OC1(C)C)[C@H]1CC(=O)[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0074411", "npaid": "NPA028265" }, "toxicity_filter_pass": true, 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"6-[7-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H48O6", "smiles": "CC(=O)OC1CCC2(C)C3=C(C(=O)CC2C1(C)C)C1(C)C(O)CC(C(C)CCC=C(C)C(=O)O)C1(C)CC3", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0239879" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "LTMONJJANNHFRQ-OWGSYBQFSA-N": { "inchikey": "LTMONJJANNHFRQ-OWGSYBQFSA-N", "inchikey2D": "LTMONJJANNHFRQ", "names": [ "3-[(2r,6r,10r,13s,14r)-13-acetyl-10,14-dimethyl-4-oxatetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadeca-1(16),8-dien-2-yl]propanoic acid" ], "molecular_formula": "C22H30O4", "smiles": "CC(=O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4COC[C@@]4(CCC(=O)O)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0008809" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "XTKNDUKCUUVUEV-ONYKDCRGSA-N": { "inchikey": "XTKNDUKCUUVUEV-ONYKDCRGSA-N", "inchikey2D": "XTKNDUKCUUVUEV", "names": [ "(2r,3s,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-1,2-dihydroxy-2-methylheptan-3-yl (5e)-2-[2-(2,5-dihydroxyphenyl)ethylidene]-6,10-dimethylundeca-5,9-dienoate" ], "molecular_formula": "C51H74O7", "smiles": "CC(C)=CCC/C(C)=C/CCC(=CCc1cc(O)ccc1O)C(=O)O[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)[C@](C)(O)CO", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0046245" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "MLFKTFLFHVRFER-UHFFFAOYSA-N": { "inchikey": "MLFKTFLFHVRFER-UHFFFAOYSA-N", "inchikey2D": "MLFKTFLFHVRFER", "names": [ "methyl 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"(2s,9r,13r,16r,17r)-2-hydroxy-8,8,13,17-tetramethyl-16-[(1s)-1-[(2s)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),3-dien-6-one" ], "molecular_formula": "C30H42O5", "smiles": "CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@H](O)C2=CCC(=O)OC(C)(C)[C@@H]2CC4)OC1=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0162371" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "WKZSQKPOCWPLQY-PJSAZFNLSA-N": { "inchikey": "WKZSQKPOCWPLQY-PJSAZFNLSA-N", "inchikey2D": "WKZSQKPOCWPLQY", "names": [ "(2e,5z,9e)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-11-hydroxy-6-(hydroxymethyl)-10-methylundeca-2,5,9-trienoic acid", "Zizhine N" ], "molecular_formula": "C21H26O7", "smiles": "C/C(=C\\CC/C(=C/C/C=C(\\CC(=O)c1cc(O)ccc1O)C(=O)O)CO)CO", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0030432", "npaid": "NPA026973" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "MJPKHASMRSIRJJ-UHFFFAOYSA-N": { "inchikey": "MJPKHASMRSIRJJ-UHFFFAOYSA-N", "inchikey2D": "MJPKHASMRSIRJJ", "names": [ "methyl 3-{6-[(acetyloxy)methyl]-7-(2-hydroxypropan-2-yl)-3a,9b-dimethyl-3-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-1h,2h,3h,4h,7h,8h-cyclopenta[a]naphthalen-6-yl}propanoate" ], "molecular_formula": "C33H48O7", "smiles": "COC(=O)CCC1(COC(C)=O)C2=CCC3(C)C(C(C)C4CC=C(C)C(=O)O4)CCC3(C)C2=CCC1C(C)(C)O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0177727" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "FPSBBGUSAFEFFR-MVRGKCHRSA-N": { "inchikey": "FPSBBGUSAFEFFR-MVRGKCHRSA-N", "inchikey2D": "FPSBBGUSAFEFFR", "names": [ "(22S,24E)-3α,22-diacetoxy-7-oxolanosta-8,24-dien-26-oic acid", "(2e,5s,6s)-6-[(1r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O7", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3=O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0029336", "npaid": "NPA021830" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "IWULFPXTAXSAEF-DONOBBAXSA-N": { "inchikey": "IWULFPXTAXSAEF-DONOBBAXSA-N", "inchikey2D": "IWULFPXTAXSAEF", "names": [ "(9r,13r,14r,16r,17r,19s)-14,19-dihydroxy-8,8,13,17-tetramethyl-16-[(1s)-1-[(2s)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-6-one" ], "molecular_formula": "C30H40O6", "smiles": "CC1=CC[C@@H]([C@@H](C)[C@H]2C[C@@H](O)[C@@]3(C)C4=C(C=C5C=CC(=O)OC(C)(C)[C@@H]5CC4)[C@@H](O)C[C@]23C)OC1=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0213327" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "LFZXQYCTUJQBQF-HHGVHUTBSA-N": { "inchikey": "LFZXQYCTUJQBQF-HHGVHUTBSA-N", "inchikey2D": "LFZXQYCTUJQBQF", "names": [ "(2s,5r,6s,7s,10s,21r)-2,5',6,20,20-pentamethyl-3'h-8,19-dioxaspiro[pentacyclo[11.10.0.0²,¹⁰.0⁵,¹⁰.0¹⁵,²¹]tricosane-7,2'-pyran]-1(13),14,16-triene-6',18-dione", "Ganodermalactone F" ], "molecular_formula": "C30H38O5", "smiles": "CC1=CC[C@]2(OC[C@]34CCC5=C(CC[C@@H]6C(=C5)C=CC(=O)OC6(C)C)[C@]3(C)CC[C@@H]4[C@@H]2C)OC1=O", 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"RXLRLJSRXDHQCH-AERNORENSA-N", "inchikey2D": "RXLRLJSRXDHQCH", "names": [ "(22S,24E)-3β,22-diacetoxylanosta-7,9(11),24-trien-26-oic acid", "(2e,5s,6s)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H50O6", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0012780", "npaid": "NPA021827" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "SAYBGICIUZRORX-WWMFTPNXSA-N": { "inchikey": "SAYBGICIUZRORX-WWMFTPNXSA-N", "inchikey2D": "SAYBGICIUZRORX", "names": [ "(2e,6e)-9-[5-(2,5-dihydroxyphenyl)-2-oxo-5h-furan-3-yl]-2,6-dimethylnona-2,6-dien-1-yl 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"C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO[C@@H](C(=O)O)[C@H](CC(=O)O)C(=O)O", "species": [ "[npatlas-query] Polyporus", "[query-hint] Ganoderma", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0135198", "npaid": "NPA012849" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Polyporus==Polyporus", "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Polyporus==Polyporus" ] }, "CLOMVFJUKDTVMR-UHFFFAOYSA-N": { "inchikey": "CLOMVFJUKDTVMR-UHFFFAOYSA-N", "inchikey2D": "CLOMVFJUKDTVMR", "names": [ "5-hydroxy-6-(1-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}ethyl)-3-methyl-5,6-dihydropyran-2-one" ], "molecular_formula": "C30H46O4", "smiles": "CC1=CC(O)C(C(C)C2CCC3(C)C4=C(CCC23C)C2(C)CCC(O)C(C)(C)C2CC4)OC1=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0012581" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": 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"toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "YFYJFZURUNKVJA-UXTWLTFPSA-N": { "inchikey": "YFYJFZURUNKVJA-UXTWLTFPSA-N", "inchikey2D": "YFYJFZURUNKVJA", "names": [ "(9r,13r,14r,16r,17r)-14-hydroxy-16-[(1s)-1-[(2r,3s)-3-hydroxy-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-6-one" ], "molecular_formula": "C30H40O6", "smiles": "CC1=C[C@H](O)[C@@H]([C@@H](C)[C@H]2C[C@@H](O)[C@@]3(C)C4=C(C=C5C=CC(=O)OC(C)(C)[C@@H]5CC4)CC[C@]23C)OC1=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0135114" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "DFXIWQLDBHKBKV-UANBTYQASA-N": { "inchikey": "DFXIWQLDBHKBKV-UANBTYQASA-N", "inchikey2D": "DFXIWQLDBHKBKV", "names": [ 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"GSUMMBGPXVRPOL-VLNLSGLRSA-N": { "inchikey": "GSUMMBGPXVRPOL-VLNLSGLRSA-N", "inchikey2D": "GSUMMBGPXVRPOL", "names": [ "(2r,3s,6r)-6-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dihydroxy-2-methylheptyl (2z)-2-[2-(2,5-dihydroxyphenyl)ethylidene]-6,10-dimethylundeca-5,9-dienoate" ], "molecular_formula": "C51H74O7", "smiles": "CC(C)=CCCC(C)=CCC/C(=C/Cc1cc(O)ccc1O)C(=O)OC[C@@](C)(O)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0004169" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "QNGPUNTWDBNUKM-XQRACWRWSA-N": { "inchikey": "QNGPUNTWDBNUKM-XQRACWRWSA-N", "inchikey2D": "QNGPUNTWDBNUKM", "names": [ 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"source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0012356" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "VNNIDEFVIYLHAM-UHFFFAOYSA-N": { "inchikey": "VNNIDEFVIYLHAM-UHFFFAOYSA-N", "inchikey2D": "VNNIDEFVIYLHAM", "names": [ "6-{1-[7-hydroxy-9a-(hydroxymethyl)-3a,6,6,11a-tetramethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl}-3-methyl-5,6-dihydropyran-2-one" ], "molecular_formula": "C30H46O4", "smiles": "CC1=CCC(C(C)C2CCC3(C)C4=C(CCC23C)C2(CO)CCC(O)C(C)(C)C2CC4)OC1=O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0016832" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "HHUQHJBNJSLZJF-GBJMNYASSA-N": { "inchikey": "HHUQHJBNJSLZJF-GBJMNYASSA-N", "inchikey2D": "HHUQHJBNJSLZJF", "names": [ "(24E)-7α-methoxy-3-oxolanosta-8,24-dien-26-oic acid", "(2e,6r)-6-[(1r,3ar,4r,5ar,9as,11ar)-4-methoxy-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C31H48O4", "smiles": "CO[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]1(C)CC2", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0013006", "npaid": "NPA021822" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "YGIXGYUHDZWEHD-MYRFEEADSA-N": { "inchikey": "YGIXGYUHDZWEHD-MYRFEEADSA-N", "inchikey2D": "YGIXGYUHDZWEHD", "names": [ "(22S,24E)-3β,22-diacetoxy-7α,15α-dihydroxylanosta-8,24-dien-26-oic acid", "(2e,5s,6s)-6-[(1r,3s,3ar,4r,5ar,7s,9as,11ar)-7-(acetyloxy)-3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-(acetyloxy)-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H52O8", "smiles": "CC(=O)O[C@@H](C/C=C(\\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]3O", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0001975", "npaid": "NPA022295" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "WRCXINQQYBRTRH-JBOPJBCTSA-N": { "inchikey": "WRCXINQQYBRTRH-JBOPJBCTSA-N", "inchikey2D": "WRCXINQQYBRTRH", "names": [ "(24E)-15α-acetoxy-3-oxolanosta-8,24-dien-26-oic acid", "(2e,6r)-6-[(1r,3s,3ar,5ar,9as,11ar)-3-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H48O5", "smiles": "CC(=O)O[C@H]1C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]2(C)CCC3=C(CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0009797", "npaid": "NPA022287" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "BUKUQINPZKVYIA-RQWVUWGVSA-N": { "inchikey": "BUKUQINPZKVYIA-RQWVUWGVSA-N", "inchikey2D": "BUKUQINPZKVYIA", "names": [ "(1r,3ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2r,5s)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthrene-3,10-dione", "3S,24S,25,26-tetrahydroxy-5α-lanost-8-en-11-one" ], "molecular_formula": "C30H48O6", "smiles": "C[C@H](CC[C@H](O)C(C)(O)CO)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0004508", "npaid": "NPA028264" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "TZHAAOYLSLYQNM-UHFFFAOYSA-N": { "inchikey": "TZHAAOYLSLYQNM-UHFFFAOYSA-N", "inchikey2D": "TZHAAOYLSLYQNM", "names": [ "8,8,13,17-tetramethyl-16-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6,19-dioxo-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4-trien-14-yl acetate" ], "molecular_formula": "C32H40O7", "smiles": "CC(=O)OC1CC(C(C)C2CC=C(C)C(=O)O2)C2(C)CC(=O)C3=C(CCC4C(=C3)C=CC(=O)OC4(C)C)C12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0005939" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "BYWFQQNFDABJID-WVRIUMHUSA-N": { "inchikey": "BYWFQQNFDABJID-WVRIUMHUSA-N", "inchikey2D": "BYWFQQNFDABJID", "names": [ "(24E)-3β-acetoxy-7α-hydroxylanosta-8,24-dien-26-oic acid", "(2e,6r)-6-[(1r,3ar,4r,5ar,7s,9as,11ar)-7-(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H50O5", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](O)C[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]1(C)CC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0033425", "npaid": "NPA021834" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "CFKGOPCMHMUILV-GVMKPQOSSA-N": { "inchikey": "CFKGOPCMHMUILV-GVMKPQOSSA-N", "inchikey2D": "CFKGOPCMHMUILV", 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"toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "KXSRWTNYHOCSFB-TVURBSCFSA-N": { "inchikey": "KXSRWTNYHOCSFB-TVURBSCFSA-N", "inchikey2D": "KXSRWTNYHOCSFB", "names": [ "(24E)-3β-acetoxy-15α-hydroxy-7-oxolanosta-8,24-dien-26-oicacid", "(2e,6r)-6-[(1r,3s,3ar,5ar,7s,9as,11ar)-7-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4-oxo-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C32H48O6", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1(C)C)[C@]1(C)[C@@H](O)C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]1(C)CC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0096281", "npaid": "NPA022297" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "QVHGIUQGGQQDBS-YMFHRCEFSA-N": { 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"(2e)-6-{3-[5-(2,5-dihydroxyphenyl)-2-oxo-5h-furan-3-yl]propyl}-7-hydroxy-2-methylhept-2-en-1-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate", "Zizhine J" ], "molecular_formula": "C30H34O8", "smiles": "C/C(=C\\CCC(CO)CCCC1=CC(c2cc(O)ccc2O)OC1=O)COC(=O)/C=C\\c1ccc(O)cc1", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0255650", "npaid": "NPA026969" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "DFTRGMQOYOBJLB-UHFFFAOYSA-N": { "inchikey": "DFTRGMQOYOBJLB-UHFFFAOYSA-N", "inchikey2D": "DFTRGMQOYOBJLB", "names": [ "5-(acetyloxy)-6-[7-(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H52O7", "smiles": "CC(=O)OC(CC=C(C)C(=O)O)C(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3O", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0112357" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "RMOSHOXMAZYZOK-AZIDVCJLSA-N": { "inchikey": "RMOSHOXMAZYZOK-AZIDVCJLSA-N", "inchikey2D": "RMOSHOXMAZYZOK", "names": [ "(2e,6r)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enal", "5α-lanosta-7,9(11),24-triene-3β-hydroxy-26-al" ], "molecular_formula": "C30H46O2", "smiles": "C/C(C=O)=C\\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0031534", "npaid": "NPA013756" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "SVLCANQQJQTELW-FOTXVZBSSA-N": { 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"C[C@H](CCC=C(CO)CO)[C@H]1C[C@@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C", "species": [ "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0249620" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma" ] }, "QNGPUNTWDBNUKM-VFNGPUNQSA-N": { "inchikey": "QNGPUNTWDBNUKM-VFNGPUNQSA-N", "inchikey2D": "QNGPUNTWDBNUKM", "names": [ "(1s,10r,14s,17r,18s,19s,21r,22s)-5',9,9,14,18-pentamethyl-3'h-8,20,24-trioxaspiro[hexacyclo[19.2.1.0²,¹³.0⁴,¹⁰.0¹⁴,²².0¹⁷,²²]tetracosane-19,2'-pyran]-2(13),3,5-triene-6',7-dione", "Ganodermalactone G" ], "molecular_formula": "C30H36O6", "smiles": "CC1=CC[C@@]2(OC1=O)O[C@H]1O[C@H]3C[C@@]14[C@H](CC[C@@]4(C)C1=C3C=C3C=CC(=O)OC(C)(C)[C@@H]3CC1)[C@@H]2C", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0041228", "npaid": "NPA003296" }, "toxicity_filter_pass": true, 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"(2e,6r)-6-[(1r,3s,3ar,4r,5ar,7s,9as,11ar)-3,7-bis(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid" ], "molecular_formula": "C34H52O7", "smiles": "CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](O)C[C@H]2C1(C)C)[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)CC/C=C(\\C)C(=O)O)[C@@]1(C)CC3", "species": [ "[npatlas-query] Ganoderma", "[query-hint] Ganoderma" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0042697", "npaid": "NPA021835" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ganoderma==Ganoderma", "INCLUDE:Ganoderma==Ganoderma" ] }, "PBRWVXAYDRQRGX-RGKQSROTSA-N": { "inchikey": "PBRWVXAYDRQRGX-RGKQSROTSA-N", "inchikey2D": "PBRWVXAYDRQRGX", "names": [ "(1r,3s,3ar,5ar,9as,11ar)-3-hydroxy-1-[(2r,5z)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H46O3", "smiles": 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"[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0062471" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "KHSSYAAJRGQWDH-UHFFFAOYSA-N": { "inchikey": "KHSSYAAJRGQWDH-UHFFFAOYSA-N", "inchikey2D": "KHSSYAAJRGQWDH", "names": [ "7-acetyl-4-isopropyl-1h,4h-pyrido[2,1-c][1,4]oxazine-3,8-dione" ], "molecular_formula": "C13H15NO4", "smiles": "CC(=O)c1cn2c(cc1=O)COC(=O)C2C(C)C", "species": [ "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0057845" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "MUPDKCFZUFURPT-UHFFFAOYSA-N": { "inchikey": "MUPDKCFZUFURPT-UHFFFAOYSA-N", "inchikey2D": "MUPDKCFZUFURPT", "names": [ "[4-(3,7-dimethylocta-2,6-dien-1-yl)-2-formyl-3-hydroxy-5-methoxyphenyl]methyl octadecanoate" ], "molecular_formula": "C37H60O5", "smiles": "CCCCCCCCCCCCCCCCCC(=O)OCc1cc(OC)c(CC=C(C)CCC=C(C)C)c(O)c1C=O", "species": [ "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0082411" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "SJLLKLUVRUWXCJ-UHFFFAOYSA-N": { "inchikey": "SJLLKLUVRUWXCJ-UHFFFAOYSA-N", "inchikey2D": "SJLLKLUVRUWXCJ", "names": [ "8-(4-hydroxy-6-methoxy-1-oxo-3h-2-benzofuran-5-yl)-2,6-dimethylocta-2,6-dienoic acid" ], "molecular_formula": "C19H22O6", "smiles": "COc1cc2c(c(O)c1CC=C(C)CCC=C(C)C(=O)O)COC2=O", "species": [ "[query-hint] Hericium" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0077507" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium" ] }, "UJSYMVCGDZCLIO-DILIWIBYSA-N": { "inchikey": "UJSYMVCGDZCLIO-DILIWIBYSA-N", "inchikey2D": "UJSYMVCGDZCLIO", "names": [ "{4-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl (9e)-octadec-9-enoate" ], "molecular_formula": "C37H58O5", "smiles": "CCCCCCCC/C=C/CCCCCCCC(=O)OCc1cc(OC)c(C/C=C(\\C)CCC=C(C)C)c(O)c1C=O", "species": [ "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0100481" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "HAZCABJATZVDGW-UHFFFAOYSA-N": { "inchikey": "HAZCABJATZVDGW-UHFFFAOYSA-N", "inchikey2D": "HAZCABJATZVDGW", "names": [ "3a,5a,8-trimethyl-1-(propan-2-ylidene)-2h,3h,4h,5h,6h,9h,10h,10ah,10bh-cyclohepta[e]indene" ], "molecular_formula": "C20H32", "smiles": "CC1=CCC2(C)CCC3(C)CCC(=C(C)C)C3C2CC1", "species": [ "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0132015" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "WQODVCURNLADTH-XVTLYKPTSA-N": { "inchikey": "WQODVCURNLADTH-XVTLYKPTSA-N", "inchikey2D": "WQODVCURNLADTH", "names": [ "Hericenone H", "[8-formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-en-1-yl)-3,4-dihydro-1-benzopyran-7-yl]methyl (9z,12z)-octadeca-9,12-dienoate" ], "molecular_formula": "C37H54O6", "smiles": "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OCc1cc(OC)c2c(c1C=O)OC(C)(CC(=O)C=C(C)C)CC2", "species": [ "[npatlas-query] Hericium", "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0094335", "npaid": "NPA019001" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "VRVNUMYDBOJZOP-SHUZPENHSA-N": { "inchikey": "VRVNUMYDBOJZOP-SHUZPENHSA-N", "inchikey2D": "VRVNUMYDBOJZOP", "names": [ "[(2s,3s)-8-formyl-3-hydroxy-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-en-1-yl)-3,4-dihydro-1-benzopyran-7-yl]methyl hexadecanoate" ], "molecular_formula": "C35H54O7", "smiles": "CCCCCCCCCCCCCCCC(=O)OCc1cc(OC)c2c(c1C=O)O[C@@](C)(CC(=O)C=C(C)C)[C@@H](O)C2", "species": [ "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0085150" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "ZXCJKDVKXCEBEI-FOPMIJGASA-N": { "inchikey": "ZXCJKDVKXCEBEI-FOPMIJGASA-N", "inchikey2D": "ZXCJKDVKXCEBEI", "names": [ "(1r,6s)-6-[(1r)-1-hydroxyethyl]-3-(hydroxymethyl)-2,7-dioxabicyclo[4.1.0]hept-3-en-5-one" ], "molecular_formula": "C8H10O5", "smiles": "C[C@@H](O)[C@]12O[C@H]1OC(CO)=CC2=O", "species": [ "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0092070" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "FRQZEMJHAGXPNB-HUUCEWRRSA-N": { "inchikey": "FRQZEMJHAGXPNB-HUUCEWRRSA-N", "inchikey2D": "FRQZEMJHAGXPNB", "names": [ "(1s,9r)-1-(hydroxymethyl)-5,11,11-trimethyl-8-oxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-triene-4,9-diol", "Sesquibenzopyran" ], "molecular_formula": "C15H20O4", "smiles": "Cc1cc2c(cc1O)[C@]1(CO)C[C@@](O)(CC1(C)C)O2", "species": [ "[npatlas-query] Hericium", "[query-hint] Hericium" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0075369", "npaid": "NPA021785" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "GREY:Hericium" ] }, "QLXVRMHCIDQLSG-UHFFFAOYSA-N": { "inchikey": "QLXVRMHCIDQLSG-UHFFFAOYSA-N", "inchikey2D": "QLXVRMHCIDQLSG", "names": [ "9-hydroxy-1-isopropyl-3a,5a-dimethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2h,3h,4h,5h,6h,9h,10h,10ah-cyclohepta[e]indene-8-carbaldehyde" ], "molecular_formula": "C25H38O7", "smiles": "CC(C)C1=C2C3CC(O)C(C=O)=CC(OC4OCC(O)C(O)C4O)C3(C)CCC2(C)CC1", "species": [ "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0069066" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "BEECYWPPXWUPIT-WGTNNTRTSA-N": { "inchikey": "BEECYWPPXWUPIT-WGTNNTRTSA-N", "inchikey2D": "BEECYWPPXWUPIT", "names": [ "(1r,5r,10r,16r,18r)-17,18-dihydroxy-8-isopropyl-2,5-dimethyl-15,20,22-trioxapentacyclo[12.8.0.0²,¹⁰.0⁵,⁹.0¹⁶,²¹]docosa-8,12-diene-13-carbaldehyde" ], "molecular_formula": "C25H36O6", "smiles": "CC(C)C1=C2[C@H]3CC=C(C=O)C4O[C@H]5C(OC[C@@H](O)C5O)O[C@@H]4C3(C)CC[C@@]2(C)CC1", "species": [ "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0101281" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "NEORIYMPRMFPGM-UHFFFAOYSA-N": { "inchikey": "NEORIYMPRMFPGM-UHFFFAOYSA-N", "inchikey2D": "NEORIYMPRMFPGM", "names": [ "(4-chloro-3,5-dimethoxyphenyl)methanol", "4-chloro-3,5-dimethoxybenzyl alcohol" ], "molecular_formula": "C9H11ClO3", "smiles": "COc1cc(CO)cc(OC)c1Cl", "species": [ "[npatlas-query] Hericium", "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0149010", "npaid": "NPA011526" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "MUPDKCFZUFURPT-QCKNELIISA-N": { "inchikey": "MUPDKCFZUFURPT-QCKNELIISA-N", "inchikey2D": "MUPDKCFZUFURPT", "names": [ "Hericene C", "{4-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl octadecanoate" ], "molecular_formula": "C37H60O5", "smiles": "CCCCCCCCCCCCCCCCCC(=O)OCc1cc(OC)c(C/C=C(\\C)CCC=C(C)C)c(O)c1C=O", "species": [ "[npatlas-query] Hericium", "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0098571", "npaid": "NPA009592" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "VRVNUMYDBOJZOP-UHFFFAOYSA-N": { "inchikey": "VRVNUMYDBOJZOP-UHFFFAOYSA-N", "inchikey2D": "VRVNUMYDBOJZOP", "names": [ "[8-formyl-3-hydroxy-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-en-1-yl)-3,4-dihydro-1-benzopyran-7-yl]methyl hexadecanoate" ], "molecular_formula": "C35H54O7", "smiles": "CCCCCCCCCCCCCCCC(=O)OCc1cc(OC)c2c(c1C=O)OC(C)(CC(=O)C=C(C)C)C(O)C2", "species": [ "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0167236" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "FESPSVXLEDWZFN-JBCWJZNQSA-N": { "inchikey": "FESPSVXLEDWZFN-JBCWJZNQSA-N", "inchikey2D": "FESPSVXLEDWZFN", "names": [ "(2r,3r,4's)-2',2',6-trimethyl-2h-spiro[1-benzofuran-3,1'-cyclopentane]-2,4',5-triol", "Hydrospirobenzofuran" ], "molecular_formula": "C15H20O4", "smiles": "Cc1cc2c(cc1O)[C@]1(C[C@@H](O)CC1(C)C)[C@H](O)O2", "species": [ "[npatlas-query] Hericium", "[query-hint] Hericium" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0158094", "npaid": "NPA021784" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "GREY:Hericium" ] }, "VSETXQQLPHMGQF-MHZLTWQESA-N": { "inchikey": "VSETXQQLPHMGQF-MHZLTWQESA-N", "inchikey2D": "VSETXQQLPHMGQF", "names": [ "(2s)-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-en-1-yl)-8-(2-phenylethyl)-3h,4h,9h-pyrano[2,3-e]isoindol-7-one" ], "molecular_formula": "C27H31NO4", "smiles": "COc1cc2c(c3c1CC[C@@](C)(CC(=O)C=C(C)C)O3)CN(CCc1ccccc1)C2=O", "species": [ "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0088855" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "BNEKFVWNEHVFNT-UHFFFAOYSA-N": { "inchikey": "BNEKFVWNEHVFNT-UHFFFAOYSA-N", "inchikey2D": "BNEKFVWNEHVFNT", "names": [ "8-(hydroxymethyl)-1-isopropyl-3a,5a-dimethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2h,3h,4h,5h,6h,9h,10h,10ah-cyclohepta[e]inden-9-yl acetate" ], "molecular_formula": "C27H42O8", "smiles": "CC(=O)OC1CC2C3=C(C(C)C)CCC3(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C=C1CO", "species": [ "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0073690" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "PLUINHYLFTYIKB-BYNJWEBRSA-N": { "inchikey": "PLUINHYLFTYIKB-BYNJWEBRSA-N", "inchikey2D": "PLUINHYLFTYIKB", "names": [ "Hericene A", "{4-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl hexadecanoate" ], "molecular_formula": "C35H56O5", "smiles": "CCCCCCCCCCCCCCCC(=O)OCc1cc(OC)c(C/C=C(\\C)CCC=C(C)C)c(O)c1C=O", "species": [ "[npatlas-query] Hericium", "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0021857", "npaid": "NPA018932" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "SRARCXKPZDYZMB-GYGNKXPFSA-N": { "inchikey": "SRARCXKPZDYZMB-GYGNKXPFSA-N", "inchikey2D": "SRARCXKPZDYZMB", "names": [ "(3as,5ar,6s,9r,10ar)-8-formyl-1-isopropyl-3a,5a-dimethyl-4-oxo-6-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2h,3h,5h,6h,9h,10h,10ah-cyclohepta[e]inden-9-yl acetate", "Erinacine R" ], "molecular_formula": "C27H38O9", "smiles": "CC(=O)O[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)C(=O)C[C@@]2(C)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C=C1C=O", "species": [ "[npatlas-query] Hericium", "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0023181", "npaid": "NPA014310" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "NLTBWOYMJODYQC-UHFFFAOYSA-N": { "inchikey": "NLTBWOYMJODYQC-UHFFFAOYSA-N", "inchikey2D": "NLTBWOYMJODYQC", "names": [ "2-({1-[5-acetyl-2-(hydroxymethyl)-4-oxopyridin-1-yl]-2-methylpropyl}imino)-3-hydroxy-4-phenylbutanoic acid" ], "molecular_formula": "C22H26N2O6", "smiles": "CC(=O)c1cn(C(N=C(C(=O)O)C(O)Cc2ccccc2)C(C)C)c(CO)cc1=O", "species": [ "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0075415" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "ACLTWGZKVIQUPD-UHFFFAOYSA-N": { "inchikey": "ACLTWGZKVIQUPD-UHFFFAOYSA-N", "inchikey2D": "ACLTWGZKVIQUPD", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-5,5a-dihydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,5h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl octadecanoate" ], "molecular_formula": "C46H80O4", "smiles": "CCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(C)C=CC(C)C(C)C)C3=CC(O)C2(O)C1", "species": [ "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0103556" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "QOILROHHBYIULD-UHFFFAOYSA-N": { "inchikey": "QOILROHHBYIULD-UHFFFAOYSA-N", "inchikey2D": "QOILROHHBYIULD", "names": [ "12-(4-hydroxy-4-methyl-2-oxopentyl)-8-methoxy-12-methyl-4,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-3-one", "Hericenone K" ], "molecular_formula": "C19H24O6", "smiles": "COc1cc2c(c3c1CCC(C)(CC(=O)CC(C)(C)O)O3)C(=O)OC2", "species": [ "[npatlas-query] Hericium", "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0035283", "npaid": "NPA019379" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "WAKQWLLYKSZRIA-UHFFFAOYSA-N": { "inchikey": "WAKQWLLYKSZRIA-UHFFFAOYSA-N", "inchikey2D": "WAKQWLLYKSZRIA", "names": [ "4,10-dihydroxy-5,8-dimethyl-9-methylidene-12-oxatetracyclo[6.4.0.0¹,¹¹.0³,⁷]dodecane-5-carboxylic acid" ], "molecular_formula": "C15H20O5", "smiles": "C=C1C(O)C2OC23CC2C(O)C(C)(C(=O)O)CC2C13C", "species": [ "[query-hint] Hericium" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0172928" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium" ] }, "ULSKNVPXNYBAQZ-MOSHPQCFSA-N": { "inchikey": "ULSKNVPXNYBAQZ-MOSHPQCFSA-N", "inchikey2D": "ULSKNVPXNYBAQZ", "names": [ "6-[(2z)-3,7-dimethylocta-2,6-dien-1-yl]-7-hydroxy-5-methoxy-2-(2-phenylethyl)-3h-isoindol-1-one" ], "molecular_formula": "C27H33NO3", "smiles": "COc1cc2c(c(O)c1C/C=C(/C)CCC=C(C)C)C(=O)N(CCc1ccccc1)C2", "species": [ "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0096651" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "FTZQOXPOWUWXJV-CYGMVAHTSA-N": { "inchikey": "FTZQOXPOWUWXJV-CYGMVAHTSA-N", "inchikey2D": "FTZQOXPOWUWXJV", "names": [ "(1s,2r,5r,10r,14s,16s,17r,20s,22r)-8-isopropyl-2,5-dimethyl-15,19,23-trioxahexacyclo[18.2.1.0²,¹⁰.0⁵,⁹.0¹³,²².0¹⁶,²¹]tricos-8-ene-14,17,21-triol", "CJ-14,258" ], "molecular_formula": 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erinaceus==Hericium erinaceus" ] }, "QLXVRMHCIDQLSG-BMMRGBERSA-N": { "inchikey": "QLXVRMHCIDQLSG-BMMRGBERSA-N", "inchikey2D": "QLXVRMHCIDQLSG", "names": [ "(3ar,5ar,6s,9r,10ar)-9-hydroxy-1-isopropyl-3a,5a-dimethyl-6-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2h,3h,4h,5h,6h,9h,10h,10ah-cyclohepta[e]indene-8-carbaldehyde", "Erinacine T" ], "molecular_formula": "C25H38O7", "smiles": "CC(C)C1=C2[C@H]3C[C@@H](O)C(C=O)=C[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@]3(C)CC[C@@]2(C)CC1", "species": [ "[npatlas-query] Hericium", "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0112183", "npaid": "NPA021788" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "DJPYXBQXHRJAHM-ONNFQVAWSA-N": { "inchikey": "DJPYXBQXHRJAHM-ONNFQVAWSA-N", "inchikey2D": "DJPYXBQXHRJAHM", "names": [ "Erinacerin R", "ethyl 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"(3ar,5ar,6s,9s,10ar)-1-isopropyl-9-methoxy-3a,5a-dimethyl-6-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2h,3h,4h,5h,6h,9h,10h,10ah-cyclohepta[e]indene-8-carbaldehyde", "Erinacine V" ], "molecular_formula": "C26H40O7", "smiles": "CO[C@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@@]2(C)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C=C1C=O", "species": [ "[npatlas-query] Hericium", "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0171681", "npaid": "NPA021789" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "MVRQPBMJXSNAHE-UHFFFAOYSA-N": { "inchikey": "MVRQPBMJXSNAHE-UHFFFAOYSA-N", "inchikey2D": "MVRQPBMJXSNAHE", "names": [ "5-hydroxy-6-(1-hydroxyethyl)-3h-2-benzofuran-1-one", "Erinaceolactone B" ], "molecular_formula": "C10H10O4", "smiles": "CC(O)c1cc2c(cc1O)COC2=O", "species": [ "[npatlas-query] Hericium", "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0162039", "npaid": "NPA017991" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "QRHQHWQWYZIEKH-UHFFFAOYSA-N": { "inchikey": "QRHQHWQWYZIEKH-UHFFFAOYSA-N", "inchikey2D": "QRHQHWQWYZIEKH", "names": [ "[4-(3,7-dimethylocta-2,6-dien-1-yl)-3-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]methyl octadec-9-enoate" ], "molecular_formula": "C37H60O5", "smiles": "CCCCCCCCC=CCCCCCCCC(=O)OCc1cc(OC)c(CC=C(C)CCC=C(C)C)c(O)c1CO", "species": [ "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0246197" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "JKGALCIWTMMATC-MRJPKMESSA-N": { "inchikey": 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"molecular_formula": "C17H21NO5", "smiles": "CCOC(=O)CCC(C)=CCc1c(O)cc2c(c1O)CN=C2O", "species": [ "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0028971" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Hericium", "INCLUDE:Hericium erinaceus==Hericium erinaceus" ] }, "KJDSEFLYDWGLDK-BAXVWPGLSA-N": { "inchikey": "KJDSEFLYDWGLDK-BAXVWPGLSA-N", "inchikey2D": "KJDSEFLYDWGLDK", "names": [ "(5ar,6r,8ar)-6-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-5a-methyl-3-(2-phenylethyl)-5h,6h,7h,8h,8ah-cyclopenta[e]indol-2-one", "Hericirine" ], "molecular_formula": "C29H39NO", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)N(CCc4ccccc4)C3=CC[C@@]21C", "species": [ "[npatlas-query] Hericium", "[query-hint] Hericium", "[query-hint] Hericium erinaceus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0033151", "npaid": "NPA011103" }, "toxicity_filter_pass": true, 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"toxicity_filter_reasons": [ "INCLUDE:Hypsizygus==Hypsizygus" ] }, "DGMDXWIMXBSSCY-RIZDTFTOSA-N": { "inchikey": "DGMDXWIMXBSSCY-RIZDTFTOSA-N", "inchikey2D": "DGMDXWIMXBSSCY", "names": [ "(6e,10e)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,34-tetraene-3,15,19,23,27,31-hexol" ], "molecular_formula": "C45H84O6", "smiles": "C=CC(C)(O)CC/C=C(\\C)CC/C=C(\\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C", "species": [ "[query-hint] Hypsizygus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0162783" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypsizygus==Hypsizygus" ] }, "ORYNVBPFPAKQFS-NNCPTUNHSA-N": { "inchikey": "ORYNVBPFPAKQFS-NNCPTUNHSA-N", "inchikey2D": "ORYNVBPFPAKQFS", "names": [ "(6e,10e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-1,6,10,30-tetraene-3,15,19,23,27-pentol" ], "molecular_formula": "C40H74O5", "smiles": "C=CC(C)(O)CC/C=C(\\C)CC/C=C(\\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C", "species": [ 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"(6e,10e,14e)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,14,34-pentaene-3,19,23,27,31-pentol" ], "molecular_formula": "C45H82O5", "smiles": "C=CC(C)(O)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C", "species": [ "[query-hint] Hypsizygus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0118916" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypsizygus==Hypsizygus" ] }, "JBNUARFQOCGDRK-PWNYCUMCSA-N": { "inchikey": "JBNUARFQOCGDRK-PWNYCUMCSA-N", "inchikey2D": "JBNUARFQOCGDRK", "names": [ "(2r,3s)-2-amino-3,4-dihydroxybutanoic acid" ], "molecular_formula": "C4H9NO4", "smiles": "N[C@@H](C(=O)O)[C@H](O)CO", "species": [ "[query-hint] Hypsizygus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0127424" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypsizygus==Hypsizygus" ] }, "HGJWTABGNGOSDZ-UHFFFAOYSA-N": { "inchikey": "HGJWTABGNGOSDZ-UHFFFAOYSA-N", "inchikey2D": "HGJWTABGNGOSDZ", "names": [ "2-amino-4-ethoxy-3-hydroxybutanoic acid" ], "molecular_formula": "C6H13NO4", "smiles": "CCOCC(O)C(N)C(=O)O", "species": [ "[query-hint] Hypsizygus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0207769" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypsizygus==Hypsizygus" ] }, "YOGIROLNHNFOFV-FDALDRLYSA-N": { "inchikey": "YOGIROLNHNFOFV-FDALDRLYSA-N", "inchikey2D": "YOGIROLNHNFOFV", "names": [ "(6e)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,34-trien-3,10,11,15,19,23,27,31-octol" ], "molecular_formula": "C45H86O8", "smiles": "C=CC(C)(O)CC/C=C(\\C)CCC(O)C(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C", "species": [ "[query-hint] Hypsizygus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0215906" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypsizygus==Hypsizygus" ] }, "CWYKTPKKNCPQTI-YIVLLMPVSA-N": { "inchikey": "CWYKTPKKNCPQTI-YIVLLMPVSA-N", "inchikey2D": "CWYKTPKKNCPQTI", "names": [ "2-hydroxy-n-[(4e,8e)-3-hydroxy-9-methyl-1-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}octadeca-4,8-dien-2-yl]hexadecanimidic acid" ], "molecular_formula": "C42H79NO8", "smiles": "CCCCCCCCCCCCCCC(O)C(O)=NC(COC1CC(CO)C(O)C(O)C1O)C(O)/C=C/CC/C=C(\\C)CCCCCCCCC", "species": [ "[query-hint] Hypsizygus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0053064" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypsizygus==Hypsizygus" ] }, "CUPLZMVFUZLYGI-KCLLREKZSA-N": { "inchikey": "CUPLZMVFUZLYGI-KCLLREKZSA-N", "inchikey2D": "CUPLZMVFUZLYGI", "names": [ "(6e)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-1,6,46-trien-3,10,11,15,19,23,27,31,35,39,43-undecol" ], "molecular_formula": "C60H116O11", "smiles": "C=CC(C)(O)CC/C=C(\\C)CCC(O)C(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C", "species": [ "[query-hint] Hypsizygus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0230427" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypsizygus==Hypsizygus" ] }, "GMVKWWPANKQDGO-HNSNBQBZSA-N": { "inchikey": "GMVKWWPANKQDGO-HNSNBQBZSA-N", "inchikey2D": "GMVKWWPANKQDGO", "names": [ "(6e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-1,6,30-triene-3,10,11,15,19,23,27-heptol" ], "molecular_formula": "C40H76O7", "smiles": "C=CC(C)(O)CC/C=C(\\C)CCC(O)C(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C", "species": [ "[query-hint] Hypsizygus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0028426" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypsizygus==Hypsizygus" ] }, "FAJPFZFWNVGGLQ-WUWMGIGGSA-N": { "inchikey": "FAJPFZFWNVGGLQ-WUWMGIGGSA-N", "inchikey2D": "FAJPFZFWNVGGLQ", "names": [ "(6e)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-1,6,42-triene-3,11,15,19,23,27,31,35,39-nonol" ], "molecular_formula": "C55H106O9", "smiles": "C=CC(C)(O)CC/C=C(\\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C", "species": [ "[query-hint] Hypsizygus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0202086" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypsizygus==Hypsizygus" ] }, "SAOYPUOWYBAYST-MHKLCUJQSA-N": { "inchikey": "SAOYPUOWYBAYST-MHKLCUJQSA-N", "inchikey2D": "SAOYPUOWYBAYST", "names": [ "(6e,10e)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraen-3,14,15,19,23,27,31,35-octol" ], "molecular_formula": "C50H94O8", "smiles": "C=CC(C)(O)CC/C=C(\\C)CC/C=C(\\C)CCC(O)C(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C", "species": [ "[query-hint] Hypsizygus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0191605" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypsizygus==Hypsizygus" ] }, "PGKWOUQKDDYJEI-AUNPKQNBSA-N": { "inchikey": "PGKWOUQKDDYJEI-AUNPKQNBSA-N", "inchikey2D": "PGKWOUQKDDYJEI", "names": [ "(6e,10e)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,15,19,23,27,31,35-heptol" ], "molecular_formula": "C50H94O7", "smiles": "C=CC(C)(O)CC/C=C(\\C)CC/C=C(\\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C", "species": [ "[query-hint] Hypsizygus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0040487" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypsizygus==Hypsizygus" ] }, "HGJWTABGNGOSDZ-RFZPGFLSSA-N": { "inchikey": "HGJWTABGNGOSDZ-RFZPGFLSSA-N", "inchikey2D": "HGJWTABGNGOSDZ", "names": [ "(2r,3s)-2-amino-4-ethoxy-3-hydroxybutanoic acid" ], "molecular_formula": "C6H13NO4", "smiles": "CCOC[C@@H](O)[C@@H](N)C(=O)O", "species": [ "[query-hint] Hypsizygus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0230863" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypsizygus==Hypsizygus" ] }, "JBNUARFQOCGDRK-UHFFFAOYSA-N": { "inchikey": "JBNUARFQOCGDRK-UHFFFAOYSA-N", "inchikey2D": "JBNUARFQOCGDRK", "names": [ "2-amino-3,4-dihydroxybutanoic acid" ], "molecular_formula": "C4H9NO4", "smiles": "NC(C(=O)O)C(O)CO", "species": [ "[query-hint] Hypsizygus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0107656" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypsizygus==Hypsizygus" ] }, "BKNRTVSTQAFBDO-PHZVCHTISA-N": { "inchikey": "BKNRTVSTQAFBDO-PHZVCHTISA-N", "inchikey2D": "BKNRTVSTQAFBDO", "names": [ "(6e)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-1,6,54-triene-3,10,11,15,19,23,27,31,35,39,43,47,51-tridecol" ], "molecular_formula": "C70H136O13", "smiles": "C=CC(C)(O)CC/C=C(\\C)CCC(O)C(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C", "species": [ "[query-hint] Hypsizygus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0002637" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypsizygus==Hypsizygus" ] }, "RBDIOUBPOLHFMP-NNLKUIAGSA-N": { "inchikey": "RBDIOUBPOLHFMP-NNLKUIAGSA-N", "inchikey2D": "RBDIOUBPOLHFMP", "names": [ "(6e)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,34-triene-3,11,15,19,23,27,31-heptol" ], "molecular_formula": "C45H86O7", "smiles": "C=CC(C)(O)CC/C=C(\\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C", "species": [ "[query-hint] Hypsizygus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0257001" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Hypsizygus==Hypsizygus" ] }, "KIWHRCNGJTUEHJ-UHFFFAOYSA-N": { "inchikey": "KIWHRCNGJTUEHJ-UHFFFAOYSA-N", "inchikey2D": "KIWHRCNGJTUEHJ", "names": [ "6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methylhept-3-ene-2,5-diol" ], "molecular_formula": "C30H50O3", "smiles": 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obliquus==Inonotus obliquus" ] }, "FNYDGJUOSXPBRL-UHFFFAOYSA-N": { "inchikey": "FNYDGJUOSXPBRL-UHFFFAOYSA-N", "inchikey2D": "FNYDGJUOSXPBRL", "names": [ "3-{5-[2-(3,4-dihydroxyphenyl)ethenyl]-5',6'-dihydroxy-3-oxospiro[furan-2,1'-inden]-2'-yl}-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione" ], "molecular_formula": "C32H18O12", "smiles": "O=C1C=C(C=Cc2ccc(O)c(O)c2)OC12C(c1cc3oc(=O)c4cc(O)c(O)cc4c3c(=O)o1)=Cc1cc(O)c(O)cc12", "species": [ "[query-hint] Inonotus", "[query-hint] Inonotus obliquus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0048090" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus", "INCLUDE:Phellinus==Phellinus" ] }, "IJDKSGMUNLLABQ-UHFFFAOYSA-N": { "inchikey": "IJDKSGMUNLLABQ-UHFFFAOYSA-N", "inchikey2D": "IJDKSGMUNLLABQ", "names": [ 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"INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "WPLVJXWIOYJHTM-UHFFFAOYSA-N": { "inchikey": "WPLVJXWIOYJHTM-UHFFFAOYSA-N", "inchikey2D": "WPLVJXWIOYJHTM", "names": [ "2-[1-(hydroxymethyl)-6,6-dimethyl-hexahydro-1h-inden-4-ylidene]propan-1-ol" ], "molecular_formula": "C15H26O2", "smiles": "CC(CO)=C1CC(C)(C)CC2C(CO)CCC12", "species": [ "[query-hint] Inonotus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0054891" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus" ] }, "FNYDGJUOSXPBRL-OHQWYZDZSA-N": { "inchikey": "FNYDGJUOSXPBRL-OHQWYZDZSA-N", "inchikey2D": "FNYDGJUOSXPBRL", "names": [ "3-[(2r)-5-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-5',6'-dihydroxy-3-oxospiro[furan-2,1'-inden]-2'-yl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione" ], "molecular_formula": "C32H18O12", "smiles": "O=C1C=C(/C=C/c2ccc(O)c(O)c2)O[C@]12C(c1cc3oc(=O)c4cc(O)c(O)cc4c3c(=O)o1)=Cc1cc(O)c(O)cc12", "species": [ "[query-hint] Inonotus", "[query-hint] Inonotus obliquus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0107333" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus", "INCLUDE:Phellinus==Phellinus" ] }, "HPSNYACQJUVHEL-GSKNDUBLSA-N": { "inchikey": "HPSNYACQJUVHEL-GSKNDUBLSA-N", "inchikey2D": "HPSNYACQJUVHEL", "names": [ "(3s,5r,6s)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-1-ene-3,5-diol", "Inonotsutriol E" ], "molecular_formula": "C30H50O3", "smiles": "C=C(C)[C@@H](O)C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3", "species": [ "[npatlas-query] Inonotus", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0130420", "npaid": "NPA032643" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "BUJWEABYUGXDHV-ZLINROKRSA-N": { "inchikey": "BUJWEABYUGXDHV-ZLINROKRSA-N", "inchikey2D": "BUJWEABYUGXDHV", "names": [ "(1r,3ar,5ar,6r,7s,9s,9as,11ar)-1-[(1r,2s,3s)-2-hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthrene-7,9-diol", "Inonotusol C" ], "molecular_formula": "C30H48O5", "smiles": "CC(C)(O)[C@H]1CC[C@H]([C@H]2CC[C@@]3(C)C4=CC[C@@H]5[C@@](C)(C4=CC[C@]23C)[C@@H](O)C[C@H](O)[C@@]5(C)CO)[C@@H]1O", "species": [ "[npatlas-query] Inonotus", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0239794", "npaid": "NPA019654" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "CRIPBGQVLWFPPG-VUFDTFQMSA-N": { "inchikey": "CRIPBGQVLWFPPG-VUFDTFQMSA-N", "inchikey2D": "CRIPBGQVLWFPPG", "names": [ "(1r,1'r,2s,3ar,3'ar,5s,7as,7'ar)-2,5-dihydroxy-3'a,4,4,7a,7'a-pentamethyl-1'-[(2r)-6-methylhept-5-en-2-yl]-decahydro-1'h-1,5'-spirobi[inden]-4'-one", "Spiroinonotsuoxodiol" ], "molecular_formula": "C30H50O3", "smiles": "CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C(=O)[C@@]3(CC[C@]12C)[C@@H](O)C[C@H]1C(C)(C)[C@@H](O)CC[C@@]13C", "species": [ "[npatlas-query] Inonotus", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0235909", "npaid": "NPA014648" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "YIFZKRGUGKLILR-UHFFFAOYSA-N": { "inchikey": "YIFZKRGUGKLILR-UHFFFAOYSA-N", "inchikey2D": "YIFZKRGUGKLILR", "names": [ 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obliquus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0074508", "npaid": "NPA008041" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "OSTNSHOKSUHSMY-VNKDHWASSA-N": { "inchikey": "OSTNSHOKSUHSMY-VNKDHWASSA-N", "inchikey2D": "OSTNSHOKSUHSMY", "names": [ "(7e,9e)-undeca-7,9-diene-2,4,5-triol" ], "molecular_formula": "C11H20O3", "smiles": "C/C=C/C=C/CC(O)C(O)CC(C)O", "species": [ "[query-hint] Inonotus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0071960" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus" ] }, "LCMUZLICFQYVKW-UHFFFAOYSA-N": { "inchikey": "LCMUZLICFQYVKW-UHFFFAOYSA-N", "inchikey2D": "LCMUZLICFQYVKW", "names": [ "2-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-5-(2-hydroxypropan-2-yl)cyclopentan-1-ol" ], "molecular_formula": "C30H48O3", "smiles": "CC(C)(O)C1CCC(C2CCC3(C)C4=CCC5C(C)(CCC(O)C5(C)C)C4=CCC23C)C1O", "species": [ "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0069169" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "WKQMXHFMAPGWJI-ABNKVAORSA-N": { "inchikey": "WKQMXHFMAPGWJI-ABNKVAORSA-N", "inchikey2D": "WKQMXHFMAPGWJI", "names": [ "(1r,3ar,5ar,7s,9as,11ar)-1-[(2r)-6-hydroperoxy-1-hydroxy-6-methylhept-4-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-ol", "Inoterpene E" ], "molecular_formula": "C30H50O4", "smiles": "CC(C)(C=CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)OO", "species": [ "[npatlas-query] Inonotus", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0124114", "npaid": "NPA000136" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "IJDKSGMUNLLABQ-VOLPLGQESA-N": { "inchikey": "IJDKSGMUNLLABQ-VOLPLGQESA-N", "inchikey2D": "IJDKSGMUNLLABQ", "names": [ "(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-1-[(2s,3r)-3-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-10-one", "Inonotsuoxodiol A" ], "molecular_formula": "C30H48O3", "smiles": "CC(C)=CC[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3", "species": [ "[npatlas-query] Inonotus", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0002104", "npaid": "NPA007859" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "DMSAIYCKECUGHO-UHFFFAOYSA-N": { "inchikey": "DMSAIYCKECUGHO-UHFFFAOYSA-N", "inchikey2D": "DMSAIYCKECUGHO", "names": [ "3-{5',6'-dihydroxy-5-methyl-3-oxospiro[furan-2,1'-inden]-2'-yl}-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione", "Phelligridin E" ], "molecular_formula": "C25H14O10", "smiles": "CC1=CC(=O)C2(O1)C(c1cc3oc(=O)c4cc(O)c(O)cc4c3c(=O)o1)=Cc1cc(O)c(O)cc12", "species": [ "[npatlas-query] Phellinus", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0034616", "npaid": "NPA010169" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus", "INCLUDE:Phellinus==Phellinus" ] }, "BDXXTCGLJBYHHM-ILLHTMCHSA-N": { "inchikey": "BDXXTCGLJBYHHM-ILLHTMCHSA-N", "inchikey2D": "BDXXTCGLJBYHHM", "names": [ "(2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enal", "3beta-Hydroxy-lanosta-8,24-dien-21-al" ], "molecular_formula": "C30H48O2", "smiles": "CC(C)=CCC[C@@H](C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3", "species": [ "[npatlas-query] Inonotus", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0155588", "npaid": "NPA009038" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "RTVFQOBGBPANTH-UHFFFAOYSA-N": { "inchikey": "RTVFQOBGBPANTH-UHFFFAOYSA-N", "inchikey2D": "RTVFQOBGBPANTH", "names": [ "4a-acetyl-7-isopropyl-1,1-dimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one" ], "molecular_formula": "C21H28O2", "smiles": "CC(=O)C12CCCC(C)(C)C1CC(=O)c1cc(C(C)C)ccc12", "species": [ "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0094046" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "JMLWBWKKDGTTAS-UMJHXOGRSA-N": { "inchikey": "JMLWBWKKDGTTAS-UMJHXOGRSA-N", "inchikey2D": "JMLWBWKKDGTTAS", "names": [ "(2r)-2-(1-hydroxyheptyl)-4-methyl-5-oxo-2h-furan-3-carboxylic acid" ], "molecular_formula": "C13H20O5", "smiles": "CCCCCCC(O)[C@@H]1OC(=O)C(C)=C1C(=O)O", "species": [ "[query-hint] Inonotus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0178607" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus" ] }, "JMLWBWKKDGTTAS-UHFFFAOYSA-N": { "inchikey": "JMLWBWKKDGTTAS-UHFFFAOYSA-N", "inchikey2D": "JMLWBWKKDGTTAS", "names": [ "2-(1-hydroxyheptyl)-4-methyl-5-oxo-2h-furan-3-carboxylic acid" ], "molecular_formula": "C13H20O5", "smiles": "CCCCCCC(O)C1OC(=O)C(C)=C1C(=O)O", "species": [ "[query-hint] Inonotus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0199277" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus" ] }, "JWBZNSYPSLWKPA-UHFFFAOYSA-N": { "inchikey": "JWBZNSYPSLWKPA-UHFFFAOYSA-N", "inchikey2D": "JWBZNSYPSLWKPA", "names": [ "3-hydroxy-2-oxo-2H-chromene-4,6-dicarboxylic acid", "3-hydroxy-2-oxochromene-4,6-dicarboxylic acid" ], "molecular_formula": "C11H6O7", "smiles": "O=C(O)c1ccc2oc(=O)c(O)c(C(=O)O)c2c1", "species": [ "[npatlas-query] Inonotus", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0200308", "npaid": "NPA021466" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "NRZPHWXZFDFOQN-GJLUZCMASA-N": { 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"O=c1oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2c2cc(O)c(O)cc12", "species": [ "[npatlas-query] Phellinus", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0094481", "npaid": "NPA017319" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus", "INCLUDE:Phellinus==Phellinus" ] }, "DEFBHVGGCIFMGI-UHFFFAOYSA-N": { "inchikey": "DEFBHVGGCIFMGI-UHFFFAOYSA-N", "inchikey2D": "DEFBHVGGCIFMGI", "names": [ "5-(1-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}ethyl)-2,2-dimethyloxolan-3-ol" ], "molecular_formula": "C30H50O3", "smiles": "CC(C1CC(O)C(C)(C)O1)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3", "species": [ "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0196489" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "CAHGCLMLTWQZNJ-UHFFFAOYSA-N": { "inchikey": "CAHGCLMLTWQZNJ-UHFFFAOYSA-N", "inchikey2D": "CAHGCLMLTWQZNJ", "names": [ "lanster" ], "molecular_formula": "C30H50O", "smiles": "CC(C)=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3", "species": [ "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0020312" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "XJQXYQINKYPKNY-CDPRCGLRSA-N": { "inchikey": "XJQXYQINKYPKNY-CDPRCGLRSA-N", "inchikey2D": "XJQXYQINKYPKNY", "names": [ "(1s,2s,5r,9s,12r,15s,19r)-2-hydroxy-1,5,15-trimethyl-8,13-dioxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-10-en-14-one", "Inonotolide C" ], "molecular_formula": "C20H28O4", "smiles": 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"toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus==Inonotus" ] }, "NOXQLVJQLGRLCH-ILLHTMCHSA-N": { "inchikey": "NOXQLVJQLGRLCH-ILLHTMCHSA-N", "inchikey2D": "NOXQLVJQLGRLCH", "names": [ "(1r,3ar,5ar,7s,9as,11ar)-1-[(2r)-1-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C30H50O2", "smiles": "CC(C)=CCC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0180453" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "YLPXHUMIKSOPEX-IVBAYRGLSA-N": { "inchikey": "YLPXHUMIKSOPEX-IVBAYRGLSA-N", "inchikey2D": "YLPXHUMIKSOPEX", "names": [ 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], "external_ids": { "lotus_id": "LTS0204113", "npaid": "NPA001725" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "NBSBUIQBEPROBM-XXGXPDTMSA-N": { "inchikey": "NBSBUIQBEPROBM-XXGXPDTMSA-N", "inchikey2D": "NBSBUIQBEPROBM", "names": [ "2-[(3ar,5as,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid" ], "molecular_formula": "C30H48O3", "smiles": "CC(C)=CCCC(C(=O)O)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(O)C(C)(C)[C@H]1CC3", "species": [ "[query-hint] Inonotus", "[query-hint] Inonotus obliquus", "[query-hint] Wolfiporia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0143898" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus", "INCLUDE:Wolfiporia==Wolfiporia" ] }, 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"[query-hint] Inonotus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0148995" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus" ] }, "VGVSRIHLEXTDBG-UHFFFAOYSA-N": { "inchikey": "VGVSRIHLEXTDBG-UHFFFAOYSA-N", "inchikey2D": "VGVSRIHLEXTDBG", "names": [ "6,6'-dihydroxy-(1,1′-biphenyl)-3,3′-dicarboxylic acid", "6,6'-dihydroxy-[1,1'-biphenyl]-3,3'-dicarboxylic acid" ], "molecular_formula": "C14H10O6", "smiles": "O=C(O)c1ccc(O)c(-c2cc(C(=O)O)ccc2O)c1", "species": [ "[npatlas-query] Inonotus", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0153670", "npaid": "NPA021467" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "QAIPRVGONGVQAS-DUXPYHPUSA-N": { "inchikey": "QAIPRVGONGVQAS-DUXPYHPUSA-N", "inchikey2D": "QAIPRVGONGVQAS", 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"external_ids": { "lotus_id": "LTS0142461" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "NCMHHGGEBVBXDI-HYSNDPNRSA-N": { "inchikey": "NCMHHGGEBVBXDI-HYSNDPNRSA-N", "inchikey2D": "NCMHHGGEBVBXDI", "names": [ "(1s,3ar,7r,9as,10r,11ar)-7,10-dihydroxy-1-[(1r,2s,3r)-2-hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one", "Inonotusol E" ], "molecular_formula": "C30H48O5", "smiles": "CC(C)(O)[C@@H]1CC[C@H]([C@@H]2CC[C@@]3(C)C4=C([C@H](O)C[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)C2CC4=O)[C@@H]1O", "species": [ "[npatlas-query] Inonotus", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0142853", "npaid": "NPA006537" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "NCMHHGGEBVBXDI-UHFFFAOYSA-N": { "inchikey": "NCMHHGGEBVBXDI-UHFFFAOYSA-N", "inchikey2D": "NCMHHGGEBVBXDI", "names": [ "7,10-dihydroxy-1-[2-hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one" ], "molecular_formula": "C30H48O5", "smiles": "CC(C)(O)C1CCC(C2CCC3(C)C4=C(C(O)CC23C)C2(C)CCC(O)C(C)(C)C2CC4=O)C1O", "species": [ "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0122284" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "ZNLSHKJBXWCRKW-CLLRDSTBSA-N": { "inchikey": "ZNLSHKJBXWCRKW-CLLRDSTBSA-N", "inchikey2D": "ZNLSHKJBXWCRKW", "names": [ 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"external_ids": { "lotus_id": "LTS0142458" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus" ] }, "LVQWRRKTHOPOBM-UHFFFAOYSA-N": { "inchikey": "LVQWRRKTHOPOBM-UHFFFAOYSA-N", "inchikey2D": "LVQWRRKTHOPOBM", "names": [ "6-[3-(formyloxy)-4-hydroxy-4-methylcyclohexyl]-2-methylhept-5-enoic acid" ], "molecular_formula": "C16H26O5", "smiles": "CC(=CCCC(C)C(=O)O)C1CCC(C)(O)C(OC=O)C1", "species": [ "[query-hint] Inonotus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0111207" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus" ] }, "NCDABFRVOGLXAB-UHFFFAOYSA-N": { "inchikey": "NCDABFRVOGLXAB-UHFFFAOYSA-N", "inchikey2D": "NCDABFRVOGLXAB", "names": [ "1-(hydroxymethyl)-6,6-dimethyl-4-(prop-1-en-2-yl)-hexahydro-1h-inden-4-ol" ], "molecular_formula": "C15H26O2", "smiles": "C=C(C)C1(O)CC(C)(C)CC2C(CO)CCC21", "species": [ "[query-hint] Inonotus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0234329" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus" ] }, "XQNCFMBNMADTHB-UHFFFAOYSA-N": { "inchikey": "XQNCFMBNMADTHB-UHFFFAOYSA-N", "inchikey2D": "XQNCFMBNMADTHB", "names": [ "3-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-(2-hydroxypropan-2-yl)oxan-2-one" ], "molecular_formula": "C30H46O4", "smiles": "CC(C)(O)C1CCC(C2CCC3(C)C4=CCC5C(C)(CCC(O)C5(C)C)C4=CCC23C)C(=O)O1", "species": [ "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0112401" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "KQWBWFOORNOSRM-UHFFFAOYSA-N": { "inchikey": "KQWBWFOORNOSRM-UHFFFAOYSA-N", "inchikey2D": "KQWBWFOORNOSRM", "names": [ "6-(3-hydroxy-4-methylcyclohexyl)-2-methylhept-5-enoic acid" ], "molecular_formula": "C15H26O3", "smiles": "CC(=CCCC(C)C(=O)O)C1CCC(C)C(O)C1", "species": [ "[query-hint] Inonotus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0253661" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus" ] }, "WOIZIKUNTKKOTL-NHXWAXDWSA-N": { "inchikey": "WOIZIKUNTKKOTL-NHXWAXDWSA-N", "inchikey2D": "WOIZIKUNTKKOTL", "names": [ "(1r,3s,3ar,7r,9as,10r,11ar)-3,7,10-trihydroxy-1-[(1r,2s,3s)-2-hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one", "Inonotusol A" ], "molecular_formula": "C30H48O6", "smiles": "CC(C)(O)[C@H]1CC[C@H]([C@H]2C[C@H](O)[C@@]3(C)C4=C([C@H](O)C[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)C2CC4=O)[C@@H]1O", "species": [ "[npatlas-query] Inonotus", "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0141677", "npaid": "NPA010030" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "QDVIEIMMEUCFMW-QXYPORFMSA-N": { "inchikey": "QDVIEIMMEUCFMW-QXYPORFMSA-N", "inchikey2D": "QDVIEIMMEUCFMW", "names": [ "Hispolon", "hispolon" ], "molecular_formula": "C12H12O4", "smiles": "CC(=O)/C=C(O)/C=C/c1ccc(O)c(O)c1", "species": [ "[npatlas-query] Inonotus", "[query-hint] Inonotus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0087997", "npaid": "NPA014610" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Phellinus==Phellinus" ] }, "YLPXHUMIKSOPEX-UHFFFAOYSA-N": { "inchikey": "YLPXHUMIKSOPEX-UHFFFAOYSA-N", "inchikey2D": "YLPXHUMIKSOPEX", "names": [ "1-(6-hydroxy-6-methylhept-4-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C30H50O2", "smiles": "CC(CC=CC(C)(C)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3", "species": [ "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0136287" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "KQWBWFOORNOSRM-NIWMIYJQSA-N": { "inchikey": "KQWBWFOORNOSRM-NIWMIYJQSA-N", "inchikey2D": "KQWBWFOORNOSRM", "names": [ "6-[(1s,3r,4r)-3-hydroxy-4-methylcyclohexyl]-2-methylhept-5-enoic acid", "Inonotic acid B" ], "molecular_formula": "C15H26O3", "smiles": "CC(=CCCC(C)C(=O)O)[C@H]1CC[C@@H](C)[C@H](O)C1", "species": [ "[npatlas-query] Inonotus", "[query-hint] Inonotus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0188346", "npaid": "NPA007075" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus==Inonotus" ] }, 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Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0171018", "npaid": "NPA013230" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "HITOUNKZPBQZSA-UHFFFAOYSA-N": { "inchikey": "HITOUNKZPBQZSA-UHFFFAOYSA-N", "inchikey2D": "HITOUNKZPBQZSA", "names": [ "5,7-dihydroxy-6,6,9a-trimethyl-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-3-one" ], "molecular_formula": "C15H22O4", "smiles": "CC1(C)C(O)CCC2(C)C3COC(=O)C3=CC(O)C12", "species": [ "[query-hint] Inonotus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0183260" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus" ] }, "TXUMQRMGEPNFCA-GIICLEHTSA-N": { "inchikey": "TXUMQRMGEPNFCA-GIICLEHTSA-N", "inchikey2D": "TXUMQRMGEPNFCA", "names": [ 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obliquus==Inonotus obliquus" ] }, "ZOGUEUUJSNQQJH-UHFFFAOYSA-N": { "inchikey": "ZOGUEUUJSNQQJH-UHFFFAOYSA-N", "inchikey2D": "ZOGUEUUJSNQQJH", "names": [ "2-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-ene-1,3-diol" ], "molecular_formula": "C30H50O3", "smiles": "CC(C)=CCC(O)C(CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3", "species": [ "[query-hint] Inonotus", "[query-hint] Inonotus obliquus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0260320" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Inonotus obliquus==Inonotus obliquus" ] }, "JFEXJRXYTKYHOD-LCWRUPSGSA-N": { "inchikey": "JFEXJRXYTKYHOD-LCWRUPSGSA-N", "inchikey2D": "JFEXJRXYTKYHOD", "names": [ "(3s,6r)-6-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylheptane-2,3-diol", "Inoterpene A" ], 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"INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "UMJHLAVMGJSVIL-UHFFFAOYSA-N": { "inchikey": "UMJHLAVMGJSVIL-UHFFFAOYSA-N", "inchikey2D": "UMJHLAVMGJSVIL", "names": [ "5,18-dihydroxy-7,12-dimethyl-9,16-dioxo-2,10,15-trioxatetracyclo[9.7.0.0³,⁸.0¹³,¹⁷]octadeca-1(18),3(8),4,6,11,13(17)-hexaene-4-carboxylic acid", "Cordycepsidone B" ], "molecular_formula": "C18H12O9", "smiles": "Cc1cc(O)c(C(=O)O)c2c1C(=O)Oc1c(C)c3c(c(O)c1O2)C(=O)OC3", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0063521", "npaid": "NPA010606" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "XARWTRNVQZILGP-UHFFFAOYSA-N": { "inchikey": "XARWTRNVQZILGP-UHFFFAOYSA-N", "inchikey2D": "XARWTRNVQZILGP", "names": [ "n-[1-({1-[(1-amino-4-methylpentan-2-yl)-c-hydroxycarbonimidoyl]-2-methylbutyl}-c-hydroxycarbonimidoyl)-1-methylethyl]-2-[(2-{[2-({[1-(1-decanoyl-4-hydroxypyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-2-methylpropylidene)amino]pentanediimidic acid" ], "molecular_formula": "C50H90N10O11", "smiles": "CCCCCCCCCC(=O)N1CC(O)CC1C(=O)N1CC(O)CC1C(O)=NC(C(O)=NC(C)(C)C(O)=NC(CCC(=N)O)C(O)=NC(C)(C)C(O)=NC(C(O)=NC(CN)CC(C)C)C(C)CC)C(C)C", "species": [ "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0079538" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "KQEHQFKJIGXCAY-OYRRPBTBSA-N": { "inchikey": "KQEHQFKJIGXCAY-OYRRPBTBSA-N", "inchikey2D": "KQEHQFKJIGXCAY", "names": [ "(2e)-3-[(7s,8s,8as)-7-[2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl]-8-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1h-isochromen-3-yl]prop-2-enoic acid", "Pinophilin C" ], "molecular_formula": "C22H22O8", "smiles": "Cc1cc(O)cc(O)c1C(=O)C[C@]1(C)C(=O)C=C2C=C(/C=C/C(=O)O)OC[C@H]2[C@@H]1O", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0073869", "npaid": "NPA015418" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "TXRNSKPHZNMMMH-UHFFFAOYSA-N": { "inchikey": "TXRNSKPHZNMMMH-UHFFFAOYSA-N", "inchikey2D": "TXRNSKPHZNMMMH", "names": [ "3-[(6-{2-[(2-carboxyacetyl)oxy]-7,8-dihydroxy-1a,2a-dimethyl-9-oxo-2h,9ah-oxireno[2,3-b]xanthen-6-yl}-7,8-dihydroxy-1a,2a-dimethyl-9-oxo-2h,9ah-oxireno[2,3-b]xanthen-2-yl)oxy]-3-oxopropanoic acid" ], "molecular_formula": "C36H30O18", "smiles": "CC12Oc3ccc(-c4ccc5c(c4O)C(O)=C4C(=O)C6OC6(C)C(OC(=O)CC(=O)O)C4(C)O5)c(O)c3C(O)=C1C(=O)C1OC1(C)C2OC(=O)CC(=O)O", "species": [ "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0035406" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "KPBCXPMTKRBLKG-UHFFFAOYSA-N": { "inchikey": "KPBCXPMTKRBLKG-UHFFFAOYSA-N", "inchikey2D": "KPBCXPMTKRBLKG", "names": [ "2,6-bis(1-methoxy-2-methylpropyl)-1h,5h-pyrrolo[2,3-f]indole-4,8-dione" ], "molecular_formula": "C20H26N2O4", "smiles": "COC(c1cc2c([nH]1)C(=O)c1cc(C(OC)C(C)C)[nH]c1C2=O)C(C)C", "species": [ "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0174534" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "VCZWDDRTRQBHBT-UHFFFAOYSA-N": { "inchikey": "VCZWDDRTRQBHBT-UHFFFAOYSA-N", "inchikey2D": "VCZWDDRTRQBHBT", "names": [ "5,7,8-trihydroxy-2-methoxy-6-(5-oxohexa-1,3-dien-1-yl)naphthalene-1,4-dione" ], "molecular_formula": "C17H14O7", "smiles": "COC1=CC(=O)c2c(O)c(C=CC=CC(C)=O)c(O)c(O)c2C1=O", "species": [ "[query-hint] 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Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0153807" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "XMKYJFYLCGTMAT-MRVPVSSYSA-N": { "inchikey": "XMKYJFYLCGTMAT-MRVPVSSYSA-N", "inchikey2D": "XMKYJFYLCGTMAT", "names": [ "(2r)-6,9-dihydroxy-8-methoxy-2-(2-oxopropyl)-2h,3h,4h-naphtho[2,3-b]pyran-5,10-dione" ], "molecular_formula": "C17H16O7", "smiles": "COc1cc(O)c2c(c1O)C(=O)C1=C(CC[C@H](CC(C)=O)O1)C2=O", "species": [ "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0120656" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "WIXFPFOILOMAPF-UHFFFAOYSA-N": { "inchikey": "WIXFPFOILOMAPF-UHFFFAOYSA-N", "inchikey2D": "WIXFPFOILOMAPF", "names": [ "5,10-dihydroxy-4,8-dimethoxy-2-(2-oxopropyl)-2h,3h,4h-naphtho[2,3-b]pyran-6,9-dione" ], "molecular_formula": "C18H18O8", "smiles": "COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)OC(CC(C)=O)CC3OC", "species": [ "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0276128" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "LKQRGQRLWXZEHO-UHFFFAOYSA-N": { "inchikey": "LKQRGQRLWXZEHO-UHFFFAOYSA-N", "inchikey2D": "LKQRGQRLWXZEHO", "names": [ "5,10-dihydroxy-2-(2-hydroxypropyl)-8-methoxy-2h,3h,4h-naphtho[2,3-b]pyran-6,9-dione" ], "molecular_formula": "C17H18O7", "smiles": "COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)OC(CC(C)O)CC3", "species": [ "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0138571" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "TXRNSKPHZNMMMH-UKYVRAJSSA-N": { "inchikey": "TXRNSKPHZNMMMH-UKYVRAJSSA-N", "inchikey2D": "TXRNSKPHZNMMMH", "names": [ 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"NPAtlas" ], "external_ids": { "lotus_id": "LTS0259451", "npaid": "NPA017532" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "XCCPWOLOVUKRKJ-YUMQZZPRSA-N": { "inchikey": "XCCPWOLOVUKRKJ-YUMQZZPRSA-N", "inchikey2D": "XCCPWOLOVUKRKJ", "names": [ "(2r,4s)-4,5,10-trihydroxy-8-methoxy-2-(2-oxopropyl)-2h,3h,4h-naphtho[2,3-b]pyran-6,9-dione" ], "molecular_formula": "C17H16O8", "smiles": "COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)O[C@@H](CC(C)=O)C[C@@H]3O", "species": [ "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0242139" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "PAOAOGJKXNVWCC-UHFFFAOYSA-N": { "inchikey": "PAOAOGJKXNVWCC-UHFFFAOYSA-N", "inchikey2D": "PAOAOGJKXNVWCC", "names": [ "1-{3-methoxy-9h-pyrido[3,4-b]indol-1-yl}ethanone", "Sphecoline D" ], "molecular_formula": "C14H12N2O2", "smiles": 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"INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "RNGNPXFWUBOPJZ-AXUOUUTOSA-N": { "inchikey": "RNGNPXFWUBOPJZ-AXUOUUTOSA-N", "inchikey2D": "RNGNPXFWUBOPJZ", "names": [ "3-[(3s,6s,9s,12s,15s,18r)-5,8,11,14,17,20-hexahydroxy-18-[(1r)-1-hydroxyethyl]-6-[(4-hydroxyphenyl)methyl]-3-isopropyl-12,15-dimethyl-24-nonyl-2-oxo-1-oxa-4,7,10,13,16,19-hexaazacyclotetracosa-4,7,10,13,16,19-hexaen-9-yl]propanimidic acid", "Cordycommunin" ], "molecular_formula": "C43H69N7O11", "smiles": "CCCCCCCCCC1CCCC(O)=N[C@H]([C@@H](C)O)C(O)=N[C@@H](C)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](Cc2ccc(O)cc2)C(O)=N[C@@H](C(C)C)C(=O)O1", "species": [ "[npatlas-query] Ophiocordyceps", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0007010", "npaid": "NPA020175" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "YXBDSGAPQHJCIN-ACZMJKKPSA-N": { "inchikey": "YXBDSGAPQHJCIN-ACZMJKKPSA-N", "inchikey2D": "YXBDSGAPQHJCIN", "names": [ "(3s,6s)-3-[(2s)-butan-2-yl]-6-(hydroxymethyl)-3,6-dihydropyrazine-2,5-diol", "Cyclo-(Ile-Ser)" ], "molecular_formula": "C9H16N2O3", "smiles": "CC[C@H](C)[C@@H]1N=C(O)[C@H](CO)N=C1O", "species": [ "[npatlas-query] Ophiocordyceps", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0123221", "npaid": "NPA026874" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ophiocordyceps==Ophiocordyceps", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "RJZGUEMWNPRKJP-UHFFFAOYSA-N": { "inchikey": "RJZGUEMWNPRKJP-UHFFFAOYSA-N", "inchikey2D": "RJZGUEMWNPRKJP", "names": [ "4,6,9-trihydroxy-2-(2-hydroxypropyl)-8-methoxy-2h,3h,4h-naphtho[2,3-b]pyran-5,10-dione" ], "molecular_formula": "C17H18O8", "smiles": "COc1cc(O)c2c(c1O)C(=O)C1=C(C2=O)C(O)CC(CC(C)O)O1", "species": [ "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0002423" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "TZOBDSKKDKBNHS-UHFFFAOYSA-N": { "inchikey": "TZOBDSKKDKBNHS-UHFFFAOYSA-N", "inchikey2D": "TZOBDSKKDKBNHS", "names": [ "6,9-dihydroxy-2-(2-hydroxypropyl)-8-methoxy-2h,3h,4h-naphtho[2,3-b]pyran-5,10-dione" ], "molecular_formula": "C17H18O7", "smiles": "COc1cc(O)c2c(c1O)C(=O)C1=C(CCC(CC(C)O)O1)C2=O", "species": [ "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0024896" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "WIXFPFOILOMAPF-WPRPVWTQSA-N": { "inchikey": "WIXFPFOILOMAPF-WPRPVWTQSA-N", "inchikey2D": "WIXFPFOILOMAPF", "names": [ "(2r,4s)-5,10-dihydroxy-4,8-dimethoxy-2-(2-oxopropyl)-2h,3h,4h-naphtho[2,3-b]pyran-6,9-dione", "4-O-methyl erythrostominone" ], "molecular_formula": "C18H18O8", "smiles": "COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)O[C@@H](CC(C)=O)C[C@@H]3OC", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0138049", "npaid": "NPA009929" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "DCVXYIOOJVZZDC-UHFFFAOYSA-N": { "inchikey": "DCVXYIOOJVZZDC-UHFFFAOYSA-N", "inchikey2D": "DCVXYIOOJVZZDC", "names": [ "5,18-dihydroxy-7,12-dimethyl-9,16-dioxo-2,10,15-trioxatetracyclo[9.7.0.0³,⁸.0¹³,¹⁷]octadeca-1(18),3(8),4,6,11,13(17)-hexaene-4-carbaldehyde", "Cordycepsidone A" ], "molecular_formula": "C18H12O8", "smiles": "Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c3c(c(O)c1O2)C(=O)OC3", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0019040", "npaid": "NPA019416" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "VCZWDDRTRQBHBT-GGWOSOGESA-N": { "inchikey": "VCZWDDRTRQBHBT-GGWOSOGESA-N", "inchikey2D": "VCZWDDRTRQBHBT", "names": [ "3,5,8-trihydroxy-6-methoxy-2-(5-oxohexa-1,3-dienyl)-1,4-naphthoquinone", "5,7,8-trihydroxy-2-methoxy-6-[(1e,3e)-5-oxohexa-1,3-dien-1-yl]naphthalene-1,4-dione" ], "molecular_formula": "C17H14O7", "smiles": "COC1=CC(=O)c2c(O)c(/C=C/C=C/C(C)=O)c(O)c(O)c2C1=O", "species": [ "[npatlas-query] Cordyceps", "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0035052", "npaid": "NPA017045" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Cordyceps==Cordyceps", "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "XMKYJFYLCGTMAT-UHFFFAOYSA-N": { "inchikey": "XMKYJFYLCGTMAT-UHFFFAOYSA-N", "inchikey2D": "XMKYJFYLCGTMAT", "names": [ "6,9-dihydroxy-8-methoxy-2-(2-oxopropyl)-2h,3h,4h-naphtho[2,3-b]pyran-5,10-dione" ], "molecular_formula": "C17H16O7", "smiles": "COc1cc(O)c2c(c1O)C(=O)C1=C(CCC(CC(C)=O)O1)C2=O", "species": [ "[query-hint] Ophiocordyceps" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0117583" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Ophiocordyceps==Ophiocordyceps" ] }, "QTWQJTORJVFWAQ-CJNGLKHVSA-N": { "inchikey": "QTWQJTORJVFWAQ-CJNGLKHVSA-N", "inchikey2D": "QTWQJTORJVFWAQ", "names": [ "(2s,6'r)-4-methyl-6'-(methylamino)-2'-azaspiro[furan-2,7'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),3',8'(12'),9'-tetraen-5-one" ], "molecular_formula": "C16H16N2O2", "smiles": "CN[C@@H]1Cc2c[nH]c3cccc(c23)[C@@]12C=C(C)C(=O)O2", "species": [ "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0217019" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "LQDPZVYIZKOAPV-UHFFFAOYSA-N": { "inchikey": "LQDPZVYIZKOAPV-UHFFFAOYSA-N", "inchikey2D": "LQDPZVYIZKOAPV", "names": [ "7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-16(24),17,19,21-tetraene-8,9,10-triol" ], "molecular_formula": "C27H37NO5", "smiles": "CC(C)(O)C1OC2CCC3(C)C(CCC4Cc5c([nH]c6ccccc56)C43C)C2(O)C(O)C1O", "species": [ "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0072758" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "FDYCJJJTQUSEOV-HEPDKZGESA-N": { "inchikey": "FDYCJJJTQUSEOV-HEPDKZGESA-N", "inchikey2D": "FDYCJJJTQUSEOV", "names": [ "2-[(1s,2s,5s,7s,11r,14s)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-7-yl]propan-2-ol", "3-deoxo-4b-deoxypaxilline" ], "molecular_formula": "C27H35NO2", "smiles": "CC(C)(O)[C@@H]1CC=C2[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0147909", "npaid": "NPA003278" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "YCXQGKDLXRHABX-SUWUUCHZSA-N": { "inchikey": "YCXQGKDLXRHABX-SUWUUCHZSA-N", "inchikey2D": "YCXQGKDLXRHABX", "names": [ "(1s,2r,5s,7r,11s,14s)-7-(1,2-dihydroxypropan-2-yl)-11-hydroxy-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one", "(2R,4bS,6aS,12bS,12cR,14aS)-2'-hydroxypaxilline" ], "molecular_formula": "C27H33NO5", "smiles": "CC(O)(CO)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0157927", "npaid": "NPA007225" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "QTWQJTORJVFWAQ-CZUORRHYSA-N": { "inchikey": "QTWQJTORJVFWAQ-CZUORRHYSA-N", "inchikey2D": "QTWQJTORJVFWAQ", "names": [ "rugulovasine b" ], "molecular_formula": "C16H16N2O2", "smiles": "CN[C@@H]1Cc2c[nH]c3cccc(c23)[C@]12C=C(C)C(=O)O2", "species": [ "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0099527" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "QSCZFXVTYWFEJV-UHFFFAOYSA-N": { "inchikey": "QSCZFXVTYWFEJV-UHFFFAOYSA-N", "inchikey2D": "QSCZFXVTYWFEJV", "names": [ "16-(1h-indol-3-yl)-2,6,10,14-tetramethylhexadeca-2,10,14-triene-6,7-diol" ], "molecular_formula": "C28H41NO2", "smiles": "CC(C)=CCCC(C)(O)C(O)CCC(C)=CCCC(C)=CCc1c[nH]c2ccccc12", "species": [ "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0174294" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "FDYCJJJTQUSEOV-UHFFFAOYSA-N": { "inchikey": "FDYCJJJTQUSEOV-UHFFFAOYSA-N", "inchikey2D": "FDYCJJJTQUSEOV", "names": [ "2-{1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-7-yl}propan-2-ol" ], "molecular_formula": "C27H35NO2", "smiles": "CC(C)(O)C1CC=C2C(CCC3(C)C2CCC2Cc4c([nH]c5ccccc45)C23C)O1", "species": [ "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0191610" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "QHCUDWQJVPGPRW-JKEWKBHPSA-N": { "inchikey": "QHCUDWQJVPGPRW-JKEWKBHPSA-N", "inchikey2D": "QHCUDWQJVPGPRW", "names": [ "(1s,2s,5s,7s,10r,11r,14s)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-16(24),17,19,21-tetraene-10-carboxylic acid", "(2S,4aR,4bR,6aS,12bS,12cS,14aS)-4a-demethylpaspaline-4a-carboxylic acid" ], "molecular_formula": "C28H37NO4", "smiles": "CC(C)(O)[C@@H]1CC[C@]2(C(=O)O)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0143109", "npaid": "NPA013664" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "QTWQJTORJVFWAQ-XJKSGUPXSA-N": { "inchikey": "QTWQJTORJVFWAQ-XJKSGUPXSA-N", "inchikey2D": "QTWQJTORJVFWAQ", "names": [ "rugulovasine a" ], "molecular_formula": "C16H16N2O2", "smiles": "CN[C@H]1Cc2c[nH]c3cccc(c23)[C@]12C=C(C)C(=O)O2", "species": [ "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0229697" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "QHCUDWQJVPGPRW-UHFFFAOYSA-N": { "inchikey": "QHCUDWQJVPGPRW-UHFFFAOYSA-N", "inchikey2D": "QHCUDWQJVPGPRW", "names": [ "7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-16(24),17,19,21-tetraene-10-carboxylic acid" ], "molecular_formula": "C28H37NO4", "smiles": "CC(C)(O)C1CCC2(C(=O)O)C(CCC3(C)C2CCC2Cc4c([nH]c5ccccc45)C23C)O1", "species": [ "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0115209" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "YMPSZJNRZBHLRI-OGYDQXLWSA-N": { "inchikey": "YMPSZJNRZBHLRI-OGYDQXLWSA-N", "inchikey2D": "YMPSZJNRZBHLRI", "names": [ "(1s,2r,5s,7r,11s,14s)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-19,20-bis(3-methylbut-2-en-1-yl)-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one", "(2R,4bS,6aS,12bS,12cR,14aS)-9,10-diisopentenylpaxilline" ], "molecular_formula": "C37H49NO4", "smiles": "CC(C)=CCc1cc2[nH]c3c(c2cc1CC=C(C)C)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H](C(C)(C)O)O[C@H]4CC[C@]2(C)[C@@]31C", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0266576", "npaid": "NPA009510" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "YCXQGKDLXRHABX-UHFFFAOYSA-N": { "inchikey": "YCXQGKDLXRHABX-UHFFFAOYSA-N", "inchikey2D": "YCXQGKDLXRHABX", "names": [ "7-(1,2-dihydroxypropan-2-yl)-11-hydroxy-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one" ], "molecular_formula": "C27H33NO5", "smiles": "CC(O)(CO)C1OC2CCC3(C)C(O)(CCC4Cc5c([nH]c6ccccc56)C43C)C2=CC1=O", "species": [ "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0202815" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "YMPSZJNRZBHLRI-UHFFFAOYSA-N": { "inchikey": "YMPSZJNRZBHLRI-UHFFFAOYSA-N", "inchikey2D": "YMPSZJNRZBHLRI", "names": [ "11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-19,20-bis(3-methylbut-2-en-1-yl)-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one" ], "molecular_formula": "C37H49NO4", "smiles": "CC(C)=CCc1cc2[nH]c3c(c2cc1CC=C(C)C)CC1CCC2(O)C4=CC(=O)C(C(C)(C)O)OC4CCC2(C)C31C", "species": [ "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0216991" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "KQNZDYYTLMIZCT-VNECMYLUSA-N": { "inchikey": "KQNZDYYTLMIZCT-VNECMYLUSA-N", "inchikey2D": "KQNZDYYTLMIZCT", "names": [ "(11ar,14ar)-1,13-dihydroxy-6-methyl-1h,6h,7h,8h,9h,11ah,12h,13h,14h,14ah-cyclopenta[f]oxacyclotridecan-4-one" ], "molecular_formula": "C16H24O4", "smiles": "CC1CCCC=C[C@H]2CC(O)C[C@H]2C(O)C=CC(=O)O1", "species": [ "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0216144" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "QTWQJTORJVFWAQ-BBRMVZONSA-N": { "inchikey": "QTWQJTORJVFWAQ-BBRMVZONSA-N", "inchikey2D": "QTWQJTORJVFWAQ", "names": [ "(2s,6's)-4-methyl-6'-(methylamino)-2'-azaspiro[furan-2,7'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),3',8'(12'),9'-tetraen-5-one" ], "molecular_formula": "C16H16N2O2", "smiles": "CN[C@H]1Cc2c[nH]c3cccc(c23)[C@@]12C=C(C)C(=O)O2", "species": [ "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0216731" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "QLOOWQVCXQPADP-UHFFFAOYSA-N": { "inchikey": "QLOOWQVCXQPADP-UHFFFAOYSA-N", "inchikey2D": "QLOOWQVCXQPADP", "names": [ "5-acetyl-3,4,5-trihydroxy-8,8,16-trimethyl-19-oxa-7,16-diazahexacyclo[9.6.1.1¹,⁴.0²,⁹.0³,⁷.0¹⁵,¹⁸]nonadeca-11,13,15(18)-triene-6,17-dione" ], "molecular_formula": "C21H22N2O7", "smiles": "CC(=O)C1(O)C(=O)N2C(C)(C)C3Cc4cccc5c4C4(OC1(O)C2(O)C34)C(=O)N5C", "species": [ "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0046421" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "QSCZFXVTYWFEJV-IQRZJAOQSA-N": { "inchikey": "QSCZFXVTYWFEJV-IQRZJAOQSA-N", "inchikey2D": "QSCZFXVTYWFEJV", "names": [ "(6S,7R,10E,14E)-16-(1H-indol-3-yl)-2,6,10,14-tetramethylhexadeca-2,10,14-triene-6,7-diol", "(6s,7r,10e,14e)-16-(1h-indol-3-yl)-2,6,10,14-tetramethylhexadeca-2,10,14-triene-6,7-diol" ], "molecular_formula": "C28H41NO2", "smiles": "CC(C)=CCC[C@](C)(O)[C@H](O)CC/C(C)=C/CC/C(C)=C/Cc1c[nH]c2ccccc12", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0123654", "npaid": "NPA006565" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "QLOOWQVCXQPADP-UMHNQWNOSA-N": { "inchikey": "QLOOWQVCXQPADP-UMHNQWNOSA-N", "inchikey2D": "QLOOWQVCXQPADP", "names": [ "(1r,2r,3s,4r,5s,9r)-5-acetyl-3,4,5-trihydroxy-8,8,16-trimethyl-19-oxa-7,16-diazahexacyclo[9.6.1.1¹,⁴.0²,⁹.0³,⁷.0¹⁵,¹⁸]nonadeca-11,13,15(18)-triene-6,17-dione", "Penicamedine A", "Speradine F" ], "molecular_formula": "C21H22N2O7", "smiles": "CC(=O)[C@@]1(O)C(=O)N2C(C)(C)[C@@H]3Cc4cccc5c4[C@@]4(O[C@@]1(O)[C@@]2(O)[C@H]34)C(=O)N5C", "species": [ "[npatlas-query] Aspergillus", "[npatlas-query] Penicillium", "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0119722", "npaid": "NPA014212" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "GREY:Penicillium", "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "LQDPZVYIZKOAPV-BCHUPDFZSA-N": { "inchikey": "LQDPZVYIZKOAPV-BCHUPDFZSA-N", "inchikey2D": "LQDPZVYIZKOAPV", "names": [ "(1s,2s,5s,7s,8r,9r,10s,11r,14s)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-16(24),17,19,21-tetraene-8,9,10-triol", "(2S,3R,4R,4aS,4bR,6aS,12bS,12cS,14aS)-4a-demethylpaspaline-3,4,4a-triol" ], "molecular_formula": "C27H37NO5", "smiles": "CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)[C@]2(O)[C@H](O)[C@H]1O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0035486", "npaid": "NPA002445" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "KQNZDYYTLMIZCT-PNFJWZTBSA-N": { "inchikey": "KQNZDYYTLMIZCT-PNFJWZTBSA-N", "inchikey2D": "KQNZDYYTLMIZCT", "names": [ "brefeldin a" ], "molecular_formula": "C16H24O4", "smiles": "C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H](O)/C=C/C(=O)O1", "species": [ "[query-hint] Penicillium camemberti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0040667" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium camemberti==Penicillium camemberti" ] }, "HOKIDJSKDBPKTQ-UHFFFAOYSA-N": { "inchikey": "HOKIDJSKDBPKTQ-UHFFFAOYSA-N", "inchikey2D": "HOKIDJSKDBPKTQ", "names": [ "3-[(acetyloxy)methyl]-7-[(5-amino-5-carboxy-1-hydroxypentylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" ], "molecular_formula": "C16H21N3O8S", "smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)C(N=C(O)CCCC(N)C(=O)O)C2SC1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0148022" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "CNOXPHKUUAMNSN-VXHPOFCZSA-N": { "inchikey": "CNOXPHKUUAMNSN-VXHPOFCZSA-N", "inchikey2D": "CNOXPHKUUAMNSN", "names": [ "(1r,6r,7e,9s,11e,13r,16r,27s,30r)-6,29-dihydroxy-7,9,16,30-tetramethyl-18,28-diazahexacyclo[14.13.1.0¹,¹³.0¹⁷,²⁵.0¹⁹,²⁴.0²⁷,³⁰]triaconta-3,7,11,17(25),19,21,23,28-octaene-2,5-dione", "Penochalasin I" ], "molecular_formula": "C32H36N2O4", "smiles": "C/C1=C\\[C@@H](C)C/C=C/[C@H]2CC[C@@]3(C)c4[nH]c5ccccc5c4C[C@@H]4N=C(O)[C@]2(C(=O)C=CC(=O)[C@@H]1O)[C@]43C", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0131539", "npaid": "NPA023102" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "BMBSGGZMJQTQSO-LURJTMIESA-N": { "inchikey": "BMBSGGZMJQTQSO-LURJTMIESA-N", "inchikey2D": "BMBSGGZMJQTQSO", "names": [ "2-[(1s)-1-hydroxyethyl]quinazolin-4-ol" ], "molecular_formula": "C10H10N2O2", "smiles": "C[C@H](O)c1nc(O)c2ccccc2n1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0132220" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "IQVNREJWRXOHEO-UHFFFAOYSA-N": { "inchikey": "IQVNREJWRXOHEO-UHFFFAOYSA-N", "inchikey2D": "IQVNREJWRXOHEO", "names": [ "6-hydroxy-4-(3h-imidazol-4-ylmethyl)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one" ], "molecular_formula": "C22H25N5O2", "smiles": "C=CC(C)(C)C12CC3C(O)=NC(Cc4cnc[nH]4)C(=O)N3C1Nc1ccccc12", "species": [ "[query-hint] Penicillium chrysogenum", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0133401" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "SSIULBZZANASKU-KAQAKNCJSA-N": { "inchikey": "SSIULBZZANASKU-KAQAKNCJSA-N", "inchikey2D": "SSIULBZZANASKU", "names": [ "(1r,3s,4s,5e)-7-butoxy-3-hydroxy-5-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione", "Rezishanone B" ], "molecular_formula": "C20H28O5", "smiles": "C/C=C/C=C/C(O)=C1\\C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1CC2OCCCC", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0116448", "npaid": "NPA015689" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "YXUBHCXJJUTWOH-UHFFFAOYSA-N": { "inchikey": "YXUBHCXJJUTWOH-UHFFFAOYSA-N", "inchikey2D": "YXUBHCXJJUTWOH", "names": [ "2,4,6-tribromo-3-(2,4-dibromo-5-hydroxy-3-methylphenoxy)-5-methylphenol", "4,6,2’,4’,6’-Pentabromo-3,3’-dihydroxy-5,5’-dimethyldiphenyl Ether" ], "molecular_formula": "C14H9Br5O3", "smiles": "Cc1c(Br)c(O)cc(Oc2c(Br)c(C)c(Br)c(O)c2Br)c1Br", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0076215", "npaid": "NPA003549" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "MPDYYYVKKXHAGJ-JAKQRLLBSA-N": { "inchikey": "MPDYYYVKKXHAGJ-JAKQRLLBSA-N", "inchikey2D": "MPDYYYVKKXHAGJ", "names": [ "(2r,3e)-2-hydroxy-n-[(2s,3r,4e,8e)-3-hydroxy-9-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetradeca-4,8-dien-2-yl]nonadec-3-enimidic acid", "Chrysogeside C" ], "molecular_formula": "C40H73NO9", "smiles": "CCCCCCCCCCCCCCC/C=C/[C@@H](O)C(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\\C)CCCCC", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0121160", "npaid": "NPA015993" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "QAGOKKIRIONYAD-VHPWJVAPSA-N": { "inchikey": "QAGOKKIRIONYAD-VHPWJVAPSA-N", "inchikey2D": "QAGOKKIRIONYAD", "names": [ "(4s,7r)-4-[(2s)-butan-2-yl]-6-hydroxy-7-isopropyl-4,12-dimethoxy-15-oxa-2,5,8-triazatricyclo[8.5.0.0³,⁸]pentadeca-1(10),2,5,11,13-pentaen-9-one" ], "molecular_formula": "C20H27N3O5", "smiles": "CC[C@H](C)[C@@]1(OC)N=C(O)[C@@H](C(C)C)n2c1nc1c(c2=O)C=C(OC)C=CO1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0130452" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "UCXIVCGQGYMRDA-UHFFFAOYSA-N": { "inchikey": "UCXIVCGQGYMRDA-UHFFFAOYSA-N", "inchikey2D": "UCXIVCGQGYMRDA", "names": [ "6-(4,5-dihydroxyhex-2-en-2-yl)-3,15-dihydroxy-5-methyltetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one" ], "molecular_formula": "C25H36O5", "smiles": "CC(=CC(O)C(C)O)C1CCC2C3=CC(=O)C4CC(=CCC(O)C4)C3C(O)CC12C", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0126958" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "REQRRQKXUWRLQY-KGAWMYLDSA-N": { "inchikey": "REQRRQKXUWRLQY-KGAWMYLDSA-N", "inchikey2D": "REQRRQKXUWRLQY", "names": [ "(2e,6r)-5,6-dihydroxy-2-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-4,6-dimethylcyclohex-4-ene-1,3-dione" ], "molecular_formula": "C14H16O5", "smiles": "C/C=C/C=C/C(O)=C1/C(=O)C(C)=C(O)[C@@](C)(O)C1=O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0054171" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "KLQGVWIQLPTWBL-UHFFFAOYSA-N": { "inchikey": "KLQGVWIQLPTWBL-UHFFFAOYSA-N", "inchikey2D": "KLQGVWIQLPTWBL", "names": [ "1-(2,4,5-trihydroxy-3,6-dimethylphenyl)hex-4-en-1-one" ], "molecular_formula": "C14H18O4", "smiles": "CC=CCCC(=O)c1c(C)c(O)c(O)c(C)c1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0137895" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "OYIOOFYGEKWTPR-CQSZACIVSA-N": { "inchikey": "OYIOOFYGEKWTPR-CQSZACIVSA-N", "inchikey2D": "OYIOOFYGEKWTPR", "names": [ "3-hydroxy-5-methylphenyl 2-[(2s)-2-hydroxy-4-methyl-5-oxofuran-2-yl]acetate" ], "molecular_formula": "C14H14O6", "smiles": "CC1=C[C@](O)(CC(=O)Oc2cc(C)cc(O)c2)OC1=O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0190294" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "OZCGTHWHGVYKHI-QSQOWDGDSA-N": { "inchikey": "OZCGTHWHGVYKHI-QSQOWDGDSA-N", "inchikey2D": "OZCGTHWHGVYKHI", "names": [ "(3r,6s,9s,12s,21as)-9-benzyl-1,4,7,14-tetrahydroxy-6-methyl-3-(2-methylpropyl)-12-[(2s)-octan-2-yl]-3h,6h,9h,12h,13h,16h,19h,20h,21h,21ah-pyrrolo[2,1-l]1-oxa-4,7,10,13,16-pentaazacyclononadecane-10,17-dione" ], "molecular_formula": "C36H55N5O7", "smiles": "CCCCCC[C@H](C)[C@@H]1CC(O)=NCC(=O)N2CCC[C@H]2C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc2ccccc2)C(=O)O1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0131044" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "CCVYRRGZDBSHFU-UHFFFAOYSA-N": { "inchikey": "CCVYRRGZDBSHFU-UHFFFAOYSA-N", "inchikey2D": "CCVYRRGZDBSHFU", "names": [ "o-hydroxyphenylacetic acid" ], "molecular_formula": "C8H8O3", "smiles": "O=C(O)Cc1ccccc1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0077461" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "DZSIQVIZFPZAMV-HJKLONAASA-N": { "inchikey": "DZSIQVIZFPZAMV-HJKLONAASA-N", "inchikey2D": "DZSIQVIZFPZAMV", "names": [ "6,7,10-trihydroxy-4-(1-hydroxyhexa-2,4-dien-1-ylidene)-13-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,6,9,11-tetramethyl-8-oxatricyclo[7.4.0.0²,⁷]tridec-10-ene-3,5,12-trione" ], "molecular_formula": "C28H32O9", "smiles": "CC=CC=CC(O)=C1C(=O)C(C)(O)C2(O)OC3(C)C(O)=C(C)C(=O)C(=C(O)/C=C/C=C/C)C3C2(C)C1=O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0194402" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "OIHNLYQDQZSUTR-HIMXQRAGSA-N": { "inchikey": "OIHNLYQDQZSUTR-HIMXQRAGSA-N", "inchikey2D": "OIHNLYQDQZSUTR", "names": [ "(4as,8r,9s,10r,10as,10br)-9,10-dihydroxy-4a,8,10b-trimethyl-2h,3h,8h,9h,10h,10ah-naphtho[2,1-b]pyran-1-one" ], "molecular_formula": "C16H22O4", "smiles": "C[C@@H]1C=C2C=C[C@]3(C)OCCC(=O)[C@]3(C)[C@H]2[C@@H](O)[C@H]1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0074159" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "POOKHYNGUAZJAE-GWWYSJQKSA-N": { "inchikey": "POOKHYNGUAZJAE-GWWYSJQKSA-N", "inchikey2D": "POOKHYNGUAZJAE", "names": [ "(1r,3s,4s,5e,7r,8s)-7-[(2e,4e)-hexa-2,4-dienoyl]-3-hydroxy-8-[(2s)-3-hydroxy-2,4-dimethyl-5-oxofuran-2-yl]-5-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione" ], "molecular_formula": "C28H32O8", "smiles": "C/C=C/C=C/C(=O)[C@@H]1[C@@H]([C@]2(C)OC(=O)C(C)=C2O)[C@H]2/C(=C(O)/C=C/C=C/C)C(=O)[C@]1(C)C(=O)[C@@]2(C)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0085377" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "YIEIUNLELXQYRP-UHFFFAOYSA-N": { "inchikey": "YIEIUNLELXQYRP-UHFFFAOYSA-N", "inchikey2D": "YIEIUNLELXQYRP", "names": [ "7-ethoxy-5-(hex-4-enoyl)-3,6-dihydroxy-1,3-dimethylbicyclo[2.2.2]oct-5-en-2-one" ], "molecular_formula": "C18H26O5", "smiles": "CC=CCCC(=O)C1=C(O)C2(C)C(=O)C(C)(O)C1CC2OCC", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0208213" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "CRSYXEQNEAGMIY-UHFFFAOYSA-N": { "inchikey": "CRSYXEQNEAGMIY-UHFFFAOYSA-N", "inchikey2D": "CRSYXEQNEAGMIY", "names": [ "3,6-dihydroxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.0²,¹⁰.0⁵,⁹.0¹⁶,²⁰]icosa-1(20),2,4,9,12,15-hexaen-14-one" ], "molecular_formula": "C23H24O6", "smiles": "Cc1c2c(c3oc4cc(=O)c(C)c5c-4c(c3c1O)OC(C)C5C)OC(C)C2(C)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0072977" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "BPJRZPAHXODCEI-LKVXINCTSA-N": { "inchikey": "BPJRZPAHXODCEI-LKVXINCTSA-N", "inchikey2D": "BPJRZPAHXODCEI", "names": [ "(2r,5s,6s,9r,13s,15s)-6-[(2s)-2,4-dihydroxybutan-2-yl]-15-hydroxy-5-methyltetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one", "Norcyclocitrinol A" ], "molecular_formula": "C23H34O4", "smiles": "C[C@](O)(CCO)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0060068", "npaid": "NPA008013" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "GXPQEDBRIAXLLL-UHFFFAOYSA-N": { "inchikey": "GXPQEDBRIAXLLL-UHFFFAOYSA-N", "inchikey2D": "GXPQEDBRIAXLLL", "names": [ "12-bromo-6-hydroxy-4-(3h-imidazol-4-ylmethyl)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one" ], "molecular_formula": "C22H24BrN5O2", "smiles": "C=CC(C)(C)C12CC3C(O)=NC(Cc4cnc[nH]4)C(=O)N3C1Nc1ccc(Br)cc12", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0225459" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "NPBSOOGJABVFSN-UHFFFAOYSA-N": { "inchikey": "NPBSOOGJABVFSN-UHFFFAOYSA-N", "inchikey2D": "NPBSOOGJABVFSN", "names": [ "2-(2-hydroxypropanamido) benzoic acid", "2-[(1,2-dihydroxypropylidene)amino]benzoic acid" ], "molecular_formula": "C10H11NO4", "smiles": "CC(O)C(O)=Nc1ccccc1C(=O)O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0090167", "npaid": "NPA008070" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "KRLKPTMEUFJHKD-HUUCEWRRSA-N": { "inchikey": "KRLKPTMEUFJHKD-HUUCEWRRSA-N", "inchikey2D": "KRLKPTMEUFJHKD", "names": [ "(3r,6r)-3-(hydroxymethyl)-6-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-dihydropyrazine-2,5-diol" ], "molecular_formula": "C17H22N2O4", "smiles": "CC(C)=CCOc1ccc(C[C@H]2N=C(O)[C@@H](CO)N=C2O)cc1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0081428" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "OFOUJHGWJJEVMF-XFHDQKJTSA-N": { "inchikey": "OFOUJHGWJJEVMF-XFHDQKJTSA-N", "inchikey2D": "OFOUJHGWJJEVMF", "names": [ "(1s,3r,4r,6z,7s,8s,10r,11r,13z,14s)-3,10-dihydroxy-6,13-bis[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,4,8,11-tetramethyl-2,9-dioxapentacyclo[8.4.0.0³,⁸.0⁴,¹⁴.0⁷,¹¹]tetradecane-5,12-dione", "Trichodimerol" ], "molecular_formula": "C28H32O8", "smiles": "C/C=C/C=C/C(O)=C1/C(=O)[C@@]2(C)[C@@H]3/C(=C(O)\\C=C\\C=C\\C)C(=O)[C@@]4(C)[C@H]1[C@]1(C)O[C@@]4(O)[C@@]3(C)O[C@@]12O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0059113", "npaid": "NPA005858" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "KZVOPAQDRLYEAP-PHMIJIOGSA-N": { "inchikey": "KZVOPAQDRLYEAP-PHMIJIOGSA-N", "inchikey2D": "KZVOPAQDRLYEAP", "names": [ "(1r,2r,6s,7r,9s)-4,13-bis[(2e,4e)-hexa-2,4-dienoyl]-3,6,7,10,12-pentahydroxy-2,6,9,11-tetramethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-3,10,12-trien-5-one" ], "molecular_formula": "C28H32O9", "smiles": "C/C=C/C=C/C(=O)C1=C(O)[C@@]2(C)[C@H]3C(C(=O)/C=C/C=C/C)=C(O)C(C)=C(O)[C@@]3(C)O[C@@]2(O)[C@@](C)(O)C1=O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0077694" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "UGOHCIOEGVPDBF-UHFFFAOYSA-N": { "inchikey": "UGOHCIOEGVPDBF-UHFFFAOYSA-N", "inchikey2D": "UGOHCIOEGVPDBF", "names": [ "7-(hex-4-enoyl)-3,6,10-trihydroxy-11-(1-hydroxyhexa-2,4-dien-1-ylidene)-3,5,8,10-tetramethyltricyclo[6.2.2.0²,⁷]dodec-5-ene-4,9,12-trione" ], "molecular_formula": "C28H34O8", "smiles": "CC=CC=CC(O)=C1C(=O)C2(C)C(=O)C(C)(O)C1C1C(C)(O)C(=O)C(C)=C(O)C12C(=O)CCC=CC", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0044302" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "OFBHPPMPBOJXRT-UHFFFAOYSA-N": { "inchikey": "OFBHPPMPBOJXRT-UHFFFAOYSA-N", "inchikey2D": "OFBHPPMPBOJXRT", "names": [ "2-[(9-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}purin-6-yl)amino]butanedioic acid" ], "molecular_formula": "C14H18N5O11P", "smiles": "O=C(O)CC(Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O)C(=O)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0103167" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "OSAXTPCZBXLUPQ-BQRZXHGPSA-N": { "inchikey": "OSAXTPCZBXLUPQ-BQRZXHGPSA-N", "inchikey2D": "OSAXTPCZBXLUPQ", "names": [ "(1r,2r,3r,6r,9s,10s,11s,14r)-3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.0¹,⁶.0¹⁰,¹⁴]pentadecan-5-one", "Conidiogenone I" ], "molecular_formula": "C20H32O3", "smiles": "C[C@H]1[C@H](O)CC(=O)[C@]2(C)CC[C@H]3[C@@H]4[C@@](C)(CO)CC[C@]4(C)C[C@@]312", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0171973", "npaid": "NPA019723" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "JTJJJLSLKZFEPJ-ZAYCRUKZSA-N": { "inchikey": "JTJJJLSLKZFEPJ-ZAYCRUKZSA-N", "inchikey2D": "JTJJJLSLKZFEPJ", "names": [ "(1s,9r,14e)-11,15-dihydroxy-14-(3h-imidazol-4-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10,15-pentaen-12-one" ], "molecular_formula": "C23H23N5O4", "smiles": "C=CC(C)(C)[C@@]12C=C(O)C(=O)N3/C(=C/c4cnc[nH]4)C(O)=N[C@]31N(OC)c1ccccc12", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0098595" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "KXRODMCMGHNDAX-UHFFFAOYSA-N": { "inchikey": "KXRODMCMGHNDAX-UHFFFAOYSA-N", "inchikey2D": "KXRODMCMGHNDAX", "names": [ "methyl 2,7,7,15,20-pentamethyl-9,16,21-trioxo-5,8,17,19-tetraoxaspiro[hexacyclo[13.6.1.0²,¹³.0⁴,⁶.0⁶,¹¹.0¹⁸,²²]docosane-12,2'-oxiran]-10-ene-1-carboxylate" ], "molecular_formula": "C26H30O10", "smiles": "COC(=O)C12C(=O)C(C)OC3OC(=O)C(C)(CC4C5(CO5)C5=CC(=O)OC(C)(C)C56OC6CC41C)C32", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0079740" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "SVFCQQXAVRBPAJ-TVSFNPFMSA-N": { "inchikey": "SVFCQQXAVRBPAJ-TVSFNPFMSA-N", "inchikey2D": "SVFCQQXAVRBPAJ", "names": [ "(1r,3r,4r,6r)-3,6-dimethyl-2,5-bis[(2s,3r)-2-methyl-3-(4-nitrophenyl)oxirane-2-carbonyl]-7-oxa-2,5-diazabicyclo[2.2.1]heptane", "Chrysamide A" ], "molecular_formula": "C26H26N4O9", "smiles": "C[C@@H]1[C@H]2O[C@H]([C@@H](C)N2C(=O)[C@@]2(C)O[C@@H]2c2ccc([N+](=O)[O-])cc2)N1C(=O)[C@@]1(C)O[C@@H]1c1ccc([N+](=O)[O-])cc1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0049031", "npaid": "NPA004794" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "FSLHHSPNMZXVAD-UHFFFAOYSA-N": { "inchikey": "FSLHHSPNMZXVAD-UHFFFAOYSA-N", "inchikey2D": "FSLHHSPNMZXVAD", "names": [ "methyl 5,7-dichloro-2,3,8-trihydroxy-6-methyl-9-oxoxanthene-1-carboxylate" ], "molecular_formula": "C16H10Cl2O7", "smiles": "COC(=O)c1c(O)c(O)cc2oc3c(Cl)c(C)c(Cl)c(O)c3c(=O)c12", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0157329" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "ZSSGCZVAMMVAPO-UHFFFAOYSA-N": { "inchikey": "ZSSGCZVAMMVAPO-UHFFFAOYSA-N", "inchikey2D": "ZSSGCZVAMMVAPO", "names": [ "2-hydroxy-n-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-4,8-dien-2-yl)octadec-3-enimidic acid" ], "molecular_formula": "C40H73NO9", "smiles": "CCCCCCCC=CCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)N=C(O)C(O)C=CCCCCCCCCCCCCCC", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0084051" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "BOEJZQKGKUOOFY-VAZONFKMSA-N": { "inchikey": "BOEJZQKGKUOOFY-VAZONFKMSA-N", "inchikey2D": "BOEJZQKGKUOOFY", "names": [ "(1r,2r,3r,6r,9s,10r,13r,14r)-3,13-dihydroxy-2,6,11,11,14-pentamethyltetracyclo[7.6.0.0¹,⁶.0¹⁰,¹⁴]pentadecan-5-one", "Conidiogenone H" ], "molecular_formula": "C20H32O3", "smiles": "C[C@H]1[C@H](O)CC(=O)[C@]2(C)CC[C@H]3[C@@H]4C(C)(C)C[C@@H](O)[C@]4(C)C[C@@]312", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0103295", "npaid": "NPA000876" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "AGFWEYQAOQMEEO-KRGQBHGKSA-N": { "inchikey": "AGFWEYQAOQMEEO-KRGQBHGKSA-N", "inchikey2D": "AGFWEYQAOQMEEO", "names": [ "(1r,3ar,5as,9ar,9br,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5ah,6h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,7-dione" ], "molecular_formula": "C28H42O2", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0037002" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "GUBGYTABKSRVRQ-XLOQQCSPSA-N": { "inchikey": "GUBGYTABKSRVRQ-XLOQQCSPSA-N", "inchikey2D": "GUBGYTABKSRVRQ", "names": [ "(2s,3r,4r,5s,6r)-6-(hydroxymethyl)-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol" ], "molecular_formula": "C12H22O11", "smiles": "OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0086690" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "MYTCOOYZKCVFJE-ZOHYDBOYSA-N": { "inchikey": "MYTCOOYZKCVFJE-ZOHYDBOYSA-N", "inchikey2D": "MYTCOOYZKCVFJE", "names": [ "(3s,3ar,4s,6as,10s,17ar)-1-hydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,13h,15h,16h-cyclotrideca[d]isoindole-14,17-dione", "Penochalasin J" ], "molecular_formula": "C32H38N2O3", "smiles": "CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(\\C)CC(=O)CCC(=O)[C@]23C(O)=N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0070685", "npaid": "NPA023103" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "ZWCFJIDEAVJSER-KBCKEJPOSA-N": { "inchikey": "ZWCFJIDEAVJSER-KBCKEJPOSA-N", "inchikey2D": "ZWCFJIDEAVJSER", "names": [ "(2e)-3-{[(3s,3ar,4z,7as)-7-hydroxy-4-[(4e)-1-hydroxyhex-4-en-1-ylidene]-3,6,7a-trimethyl-2,5-dioxo-3ah-1-benzofuran-3-yl]-c-hydroxycarbonimidoyl}prop-2-enoic acid" ], "molecular_formula": "C21H25NO8", "smiles": "C/C=C/CC/C(O)=C1/C(=O)C(C)=C(O)[C@@]2(C)OC(=O)[C@@](C)(N=C(O)/C=C/C(=O)O)[C@@H]12", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0042027" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "PZLKKLWFFFEJHP-ONEGZZNKSA-N": { "inchikey": "PZLKKLWFFFEJHP-ONEGZZNKSA-N", "inchikey2D": "PZLKKLWFFFEJHP", "names": [ "(4e)-1-(2,4-dihydroxy-5-methylphenyl)hex-4-en-1-one", "Sohirnone A" ], "molecular_formula": "C13H16O3", "smiles": "C/C=C/CCC(=O)c1cc(C)c(O)cc1O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0103187", "npaid": "NPA012180" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "UGOHCIOEGVPDBF-INARRDJFSA-N": { "inchikey": "UGOHCIOEGVPDBF-INARRDJFSA-N", "inchikey2D": "UGOHCIOEGVPDBF", "names": [ "(1s,2s,3s,7r,8r,10s,11e)-7-[(4e)-hex-4-enoyl]-3,6,10-trihydroxy-11-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-3,5,8,10-tetramethyltricyclo[6.2.2.0²,⁷]dodec-5-ene-4,9,12-trione" ], "molecular_formula": "C28H34O8", "smiles": "C/C=C/C=C/C(O)=C1\\C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@@H]1[C@](C)(O)C(=O)C(C)=C(O)[C@@]12C(=O)CC/C=C/C", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0187351" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "MLUAYUWFBGUTHY-UHFFFAOYSA-N": { "inchikey": "MLUAYUWFBGUTHY-UHFFFAOYSA-N", "inchikey2D": "MLUAYUWFBGUTHY", "names": [ "2-[2,4-dichloro-5-hydroxy-6-(methoxycarbonyl)-3-methylphenoxy]-3,5-dimethoxybenzoic acid" ], "molecular_formula": "C18H16Cl2O8", "smiles": "COC(=O)c1c(O)c(Cl)c(C)c(Cl)c1Oc1c(OC)cc(OC)cc1C(=O)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0065751" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "DSWZWPQYGALTJZ-OWMPDJEMSA-N": { "inchikey": "DSWZWPQYGALTJZ-OWMPDJEMSA-N", "inchikey2D": "DSWZWPQYGALTJZ", "names": [ "(3s,6s,9r,12s,19s)-19-[(2s)-hexan-2-yl]-5,8,11,14,17-pentahydroxy-3,12-diisopropyl-6-methyl-9-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one" ], "molecular_formula": "C30H53N5O7", "smiles": "CCCC[C@H](C)[C@@H]1CC(O)=NCC(O)=N[C@@H](C(C)C)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](C(C)C)C(=O)O1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0200687" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "KKYKYAWAXUYVNI-UJGKVGIWSA-N": { "inchikey": "KKYKYAWAXUYVNI-UJGKVGIWSA-N", "inchikey2D": "KKYKYAWAXUYVNI", "names": [ "(1r,3z,4s,5r,6s,7s)-7-ethoxy-5,6-dihydroxy-3-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,5-dimethylbicyclo[2.2.2]octan-2-one" ], "molecular_formula": "C18H26O5", "smiles": "C/C=C/C=C/C(O)=C1/C(=O)[C@@]2(C)[C@@H](OCC)C[C@@H]1[C@@](C)(O)[C@H]2O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0176499" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "QPJFEVOJXXMYHH-UHFFFAOYSA-N": { "inchikey": "QPJFEVOJXXMYHH-UHFFFAOYSA-N", "inchikey2D": "QPJFEVOJXXMYHH", "names": [ "4-(hexa-2,4-dienoyl)-5-hydroxy-3,6-dimethylcyclohexa-3,5-diene-1,2-dione" ], "molecular_formula": "C14H14O4", "smiles": "CC=CC=CC(=O)C1=C(C)C(=O)C(=O)C(C)=C1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0055627" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "KXRODMCMGHNDAX-NMXLUNLASA-N": { "inchikey": "KXRODMCMGHNDAX-NMXLUNLASA-N", "inchikey2D": "KXRODMCMGHNDAX", "names": [ "Chrysogenolide B", "methyl (1s,2s,4r,6s,12r,13r,15r,18r,20r,22r)-2,7,7,15,20-pentamethyl-9,16,21-trioxo-5,8,17,19-tetraoxaspiro[hexacyclo[13.6.1.0²,¹³.0⁴,⁶.0⁶,¹¹.0¹⁸,²²]docosane-12,2'-oxiran]-10-ene-1-carboxylate" ], "molecular_formula": "C26H30O10", "smiles": "COC(=O)[C@]12C(=O)[C@@H](C)O[C@@H]3OC(=O)[C@](C)(C[C@@H]4[C@]1(C)C[C@H]1O[C@@]15C(=CC(=O)OC5(C)C)[C@@]41CO1)[C@@H]32", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0194323", "npaid": "NPA022469" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "ASJDHPNJTXZGII-UHFFFAOYSA-N": { "inchikey": "ASJDHPNJTXZGII-UHFFFAOYSA-N", "inchikey2D": "ASJDHPNJTXZGII", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-7,10-dihydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate" ], "molecular_formula": "C30H48O4", "smiles": "CC(=O)OC1CC2C3CC=C4CC(O)CCC4(C)C3C(O)CC2(C)C1C(C)C=CC(C)C(C)C", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0019119" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "SJEYUYPBCPRFNM-WQWHYOKSSA-N": { "inchikey": "SJEYUYPBCPRFNM-WQWHYOKSSA-N", "inchikey2D": "SJEYUYPBCPRFNM", "names": [ "(6s)-4-[(2e,4e)-hexa-2,4-dienoyl]-3,6-dihydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one" ], "molecular_formula": "C14H16O4", "smiles": "C/C=C/C=C/C(=O)C1=C[C@](C)(O)C(=O)C(C)=C1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0036873" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "SSNZBMSHTYMPDC-UHFFFAOYSA-N": { "inchikey": "SSNZBMSHTYMPDC-UHFFFAOYSA-N", "inchikey2D": "SSNZBMSHTYMPDC", "names": [ "2-hydroxy-n-(3-hydroxy-9-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptadeca-4,8-dien-2-yl)nonadec-3-enimidic acid" ], "molecular_formula": "C43H79NO9", "smiles": "CCCCCCCCCCCCCCCC=CC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=C(C)CCCCCCCC", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0088780" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "DLRVVLDZNNYCBX-WSWWMNSNSA-N": { "inchikey": "DLRVVLDZNNYCBX-WSWWMNSNSA-N", "inchikey2D": "DLRVVLDZNNYCBX", "names": [ "β-(1->6)-galactobiose" ], "molecular_formula": "C12H22O11", "smiles": "OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0045049" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "OFVLVORZFFTHHV-OJLVKCQKSA-N": { "inchikey": "OFVLVORZFFTHHV-OJLVKCQKSA-N", "inchikey2D": "OFVLVORZFFTHHV", "names": [ "(1's,3s,4's,8's)-4',11',11'-trimethyl-7-(3-methylbut-2-en-1-yl)-3',14'-diazaspiro[indole-3,12'-tetracyclo[6.5.2.0¹,¹⁰.0³,⁸]pentadecan]-14'-ene-2,15'-diol", "Chrysogenamide A" ], "molecular_formula": "C28H37N3O2", "smiles": "CC(C)=CCc1cccc2c1N=C(O)[C@]21C[C@@]23CN4[C@@H](C)CCC[C@]4(CC2C1(C)C)C(O)=N3", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0117186", "npaid": "NPA005521" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "CRSYXEQNEAGMIY-JYUKFHQISA-N": { "inchikey": "CRSYXEQNEAGMIY-JYUKFHQISA-N", "inchikey2D": "CRSYXEQNEAGMIY", "names": [ "(6r,7r,17s,18r)-3,6-dihydroxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.0²,¹⁰.0⁵,⁹.0¹⁶,²⁰]icosa-1(20),2,4,9,12,15-hexaen-14-one", "Pennicitrinone D" ], "molecular_formula": "C23H24O6", "smiles": "Cc1c2c(c3oc4cc(=O)c(C)c5c-4c(c3c1O)O[C@H](C)[C@H]5C)O[C@H](C)[C@]2(C)O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0148737", "npaid": "NPA018469" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "YVLSHRWZRCIYQN-UHFFFAOYSA-N": { "inchikey": "YVLSHRWZRCIYQN-UHFFFAOYSA-N", "inchikey2D": "YVLSHRWZRCIYQN", "names": [ "7-ethoxy-3-hydroxy-5-(1-hydroxyhex-4-en-1-ylidene)-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione" ], "molecular_formula": "C18H26O5", "smiles": "CC=CCCC(O)=C1C(=O)C2(C)C(=O)C(C)(O)C1CC2OCC", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0126295" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "HOKIDJSKDBPKTQ-NURSFMCSSA-N": { "inchikey": "HOKIDJSKDBPKTQ-NURSFMCSSA-N", "inchikey2D": "HOKIDJSKDBPKTQ", "names": [ "(6r,7s)-3-[(acetyloxy)methyl]-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" ], "molecular_formula": "C16H21N3O8S", "smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](N=C(O)CCC[C@H](N)C(=O)O)[C@H]2SC1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0106159" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "GZCGUPFRVQAUEE-SLPGGIOYSA-N": { "inchikey": "GZCGUPFRVQAUEE-SLPGGIOYSA-N", "inchikey2D": "GZCGUPFRVQAUEE", "names": [ "(+)-glucose" ], "molecular_formula": "C6H12O6", "smiles": "O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0262158" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "ZNOSJWPDZUFPQD-WBTZUOPNSA-N": { "inchikey": "ZNOSJWPDZUFPQD-WBTZUOPNSA-N", "inchikey2D": "ZNOSJWPDZUFPQD", "names": [ "(1r,2r,10s,13r,15r,18r,19r,21s)-19-hydroxy-7,7,13,18,21-pentamethyl-6,11,14,16-tetraoxaspiro[hexacyclo[16.3.1.0³,⁸.0¹⁰,²¹.0¹²,²⁰.0¹⁵,¹⁹]docosane-2,2'-oxirane]-3,8,12(20)-triene-5,17-dione", "Chrysogenolide D" ], "molecular_formula": "C24H26O8", "smiles": "C[C@H]1O[C@@H]2OC(=O)[C@]3(C)C[C@@H]4[C@@]5(C)C(=C1O[C@H]5C=C1C(=CC(=O)OC1(C)C)[C@@]41CO1)[C@]23O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0246895", "npaid": "NPA022471" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "KXOMTJKMEGIGSP-UHFFFAOYSA-N": { "inchikey": "KXOMTJKMEGIGSP-UHFFFAOYSA-N", "inchikey2D": "KXOMTJKMEGIGSP", "names": [ "5-(1-hydroxybutyl)-6-methylpyridin-2-ol" ], "molecular_formula": "C10H15NO2", "smiles": "CCCC(O)c1ccc(O)nc1C", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0147653" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "SPWSUFUPTSJWNG-JJUKSXGLSA-N": { "inchikey": "SPWSUFUPTSJWNG-JJUKSXGLSA-N", "inchikey2D": "SPWSUFUPTSJWNG", "names": [ "(1s,4e,7s,9r)-6-hydroxy-4-(3h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one" ], "molecular_formula": "C22H23N5O2", "smiles": "C=CC(C)(C)[C@@]12C[C@H]3C(O)=N/C(=C/c4cnc[nH]4)C(=O)N3[C@@H]1Nc1ccccc12", "species": [ "[query-hint] Penicillium chrysogenum", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0190698" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "YDRQQUSYQSDEOI-OPIPNKKXSA-N": { "inchikey": "YDRQQUSYQSDEOI-OPIPNKKXSA-N", "inchikey2D": "YDRQQUSYQSDEOI", "names": [ "(1r,2s,7s,14s,15r)-7-methoxy-14,15-dimethyl-8,16-dioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-9(17),10,12-triene-11,12-diol" ], "molecular_formula": "C18H24O5", "smiles": "CO[C@]12CCCC[C@H]1[C@H]1O[C@H](C)[C@@H](C)c3c(O)c(O)cc(c31)O2", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0174252" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "AMZNYVFIWCPUAY-UHFFFAOYSA-N": { "inchikey": "AMZNYVFIWCPUAY-UHFFFAOYSA-N", "inchikey2D": "AMZNYVFIWCPUAY", "names": [ "1-(2,4-dihydroxy-3,5-dimethylphenyl)ethanone" ], "molecular_formula": "C10H12O3", "smiles": "CC(=O)c1cc(C)c(O)c(C)c1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0146536" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "SSIULBZZANASKU-JMHWJZGWSA-N": { "inchikey": "SSIULBZZANASKU-JMHWJZGWSA-N", "inchikey2D": "SSIULBZZANASKU", "names": [ "(1r,3s,4s,5e,7s)-7-butoxy-3-hydroxy-5-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione" ], "molecular_formula": "C20H28O5", "smiles": "C/C=C/C=C/C(O)=C1\\C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1C[C@@H]2OCCCC", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0273190" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "BEFYXGMBMJSBNP-VXKOQRHQSA-N": { "inchikey": "BEFYXGMBMJSBNP-VXKOQRHQSA-N", "inchikey2D": "BEFYXGMBMJSBNP", "names": [ "(3s,6s,9r,12r,19s)-3-benzyl-5,8,11,14,17-pentahydroxy-6-methyl-9,12-bis(2-methylpropyl)-19-[(2s)-octan-2-yl]-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one" ], "molecular_formula": "C37H59N5O7", "smiles": "CCCCCC[C@H](C)[C@@H]1CC(O)=NCC(O)=N[C@H](CC(C)C)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc2ccccc2)C(=O)O1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0265065" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "YIEIUNLELXQYRP-BDLBYSBYSA-N": { "inchikey": "YIEIUNLELXQYRP-BDLBYSBYSA-N", "inchikey2D": "YIEIUNLELXQYRP", "names": [ "(1r,3s,4s)-7-ethoxy-5-[(4e)-hex-4-enoyl]-3,6-dihydroxy-1,3-dimethylbicyclo[2.2.2]oct-5-en-2-one", "Rezishanone D" ], "molecular_formula": "C18H26O5", "smiles": "C/C=C/CCC(=O)C1=C(O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1CC2OCC", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0126410", "npaid": "NPA006389" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "XONZEOKWFDBLFK-UHFFFAOYSA-N": { "inchikey": "XONZEOKWFDBLFK-UHFFFAOYSA-N", "inchikey2D": "XONZEOKWFDBLFK", "names": [ "methyl 10-(2,5-dihydroxy-4-methylphenyl)-4,8-dimethyldeca-4,8-dienoate" ], "molecular_formula": "C20H28O4", "smiles": "COC(=O)CCC(C)=CCCC(C)=CCc1cc(O)c(C)cc1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0154283" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "QPJFEVOJXXMYHH-YTXTXJHMSA-N": { "inchikey": "QPJFEVOJXXMYHH-YTXTXJHMSA-N", "inchikey2D": "QPJFEVOJXXMYHH", "names": [ "4-[(2e,4e)-hexa-2,4-dienoyl]-5-hydroxy-3,6-dimethylcyclohexa-3,5-diene-1,2-dione", "Sorrentanone" ], "molecular_formula": "C14H14O4", "smiles": "C/C=C/C=C/C(=O)C1=C(C)C(=O)C(=O)C(C)=C1O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0145543", "npaid": "NPA012592" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "VOOPCCURDRUEPN-UHFFFAOYSA-N": { "inchikey": "VOOPCCURDRUEPN-UHFFFAOYSA-N", "inchikey2D": "VOOPCCURDRUEPN", "names": [ "6-(7,10-dihydroxy-5,7-dimethylundecyl)-4-hydroxyoxan-2-one" ], "molecular_formula": "C18H34O5", "smiles": "CC(O)CCC(C)(O)CC(C)CCCCC1CC(O)CC(=O)O1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0142456" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "BRXZPQCUSKJYDB-UHFFFAOYSA-N": { "inchikey": "BRXZPQCUSKJYDB-UHFFFAOYSA-N", "inchikey2D": "BRXZPQCUSKJYDB", "names": [ "6-hydroxy-1-methoxy-8-methyl-1h,2h,3h-cyclopenta[c]isochromen-5-one" ], "molecular_formula": "C14H14O4", "smiles": "COC1CCc2oc(=O)c3c(O)cc(C)cc3c21", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0151866" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "LCKFAMIWUNBCPL-UHFFFAOYSA-N": { "inchikey": "LCKFAMIWUNBCPL-UHFFFAOYSA-N", "inchikey2D": "LCKFAMIWUNBCPL", "names": [ "2-({2-[(2-carboxy-1-hydroxyethylidene)amino]-1-hydroxypropylidene}amino)benzoic acid" ], "molecular_formula": "C13H14N2O6", "smiles": "CC(N=C(O)CC(=O)O)C(O)=Nc1ccccc1C(=O)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0160171" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "JSSFRHLBNRCOAQ-KGAWMYLDSA-N": { "inchikey": "JSSFRHLBNRCOAQ-KGAWMYLDSA-N", "inchikey2D": "JSSFRHLBNRCOAQ", "names": [ "(2r,6e)-2,5-dihydroxy-6-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,4-dimethylcyclohex-4-ene-1,3-dione", "Oxosorbicillinol" ], "molecular_formula": "C14H16O5", "smiles": "C/C=C/C=C/C(O)=C1\\C(=O)[C@](C)(O)C(=O)C(C)=C1O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0151190", "npaid": "NPA001693" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "JTJJJLSLKZFEPJ-YVLHZVERSA-N": { "inchikey": "JTJJJLSLKZFEPJ-YVLHZVERSA-N", "inchikey2D": "JTJJJLSLKZFEPJ", "names": [ "(14z)-11,15-dihydroxy-14-(3h-imidazol-4-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10,15-pentaen-12-one" ], "molecular_formula": "C23H23N5O4", "smiles": "C=CC(C)(C)C12C=C(O)C(=O)N3/C(=C\\c4cnc[nH]4)C(O)=NC31N(OC)c1ccccc12", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0142903" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "QQBOFNUXGPKLIK-UHFFFAOYSA-N": { "inchikey": "QQBOFNUXGPKLIK-UHFFFAOYSA-N", "inchikey2D": "QQBOFNUXGPKLIK", "names": [ "1-(2,4-dihydroxy-3,5-dimethylphenyl)hex-4-en-1-one" ], "molecular_formula": "C14H18O3", "smiles": "CC=CCCC(=O)c1cc(C)c(O)c(C)c1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0143977" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "NZYZLYFPFACZFH-JBGJSGBSSA-N": { "inchikey": "NZYZLYFPFACZFH-JBGJSGBSSA-N", "inchikey2D": "NZYZLYFPFACZFH", "names": [ "(2e)-n,n'-bis[(2s)-1-methoxy-1-oxopropan-2-yl]but-2-enediimidic acid" ], "molecular_formula": "C12H18N2O6", "smiles": "COC(=O)[C@H](C)N=C(O)/C=C/C(O)=N[C@@H](C)C(=O)OC", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0145337" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "AGFWEYQAOQMEEO-UHFFFAOYSA-N": { "inchikey": "AGFWEYQAOQMEEO-UHFFFAOYSA-N", "inchikey2D": "AGFWEYQAOQMEEO", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,5ah,6h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,7-dione" ], "molecular_formula": "C28H42O2", "smiles": "CC(C)C(C)C=CC(C)C1CCC2C3=CC(=O)C4CC(=O)CCC4(C)C3CCC21C", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0163800" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "JOYLASSUVMVSGN-WEVVVXLNSA-N": { "inchikey": "JOYLASSUVMVSGN-WEVVVXLNSA-N", "inchikey2D": "JOYLASSUVMVSGN", "names": [ "(6e)-7-[(acetyloxy)methyl]-3-hydroxy-3-methyloct-6-enoic acid", "Penicimonoterpene" ], "molecular_formula": "C12H20O5", "smiles": "CC(=O)OC/C(C)=C/CCC(C)(O)CC(=O)O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0151586", "npaid": "NPA019715" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "PNZUHMALUWDEMC-UHFFFAOYSA-N": { "inchikey": "PNZUHMALUWDEMC-UHFFFAOYSA-N", "inchikey2D": "PNZUHMALUWDEMC", "names": [ "2,5-dimethyl-1,4-bis[2-methyl-3-(4-nitrophenyl)oxirane-2-carbonyl]piperazine" ], "molecular_formula": "C26H28N4O8", "smiles": "CC1CN(C(=O)C2(C)OC2c2ccc([N+](=O)[O-])cc2)C(C)CN1C(=O)C1(C)OC1c1ccc([N+](=O)[O-])cc1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0145785" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "BOEJZQKGKUOOFY-UHFFFAOYSA-N": { "inchikey": "BOEJZQKGKUOOFY-UHFFFAOYSA-N", "inchikey2D": "BOEJZQKGKUOOFY", "names": [ "3,13-dihydroxy-2,6,11,11,14-pentamethyltetracyclo[7.6.0.0¹,⁶.0¹⁰,¹⁴]pentadecan-5-one" ], "molecular_formula": "C20H32O3", "smiles": "CC1C(O)CC(=O)C2(C)CCC3C4C(C)(C)CC(O)C4(C)CC132", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0090870" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "ZVSKJEHFCITPQT-XCEJTAPFSA-N": { "inchikey": "ZVSKJEHFCITPQT-XCEJTAPFSA-N", "inchikey2D": "ZVSKJEHFCITPQT", "names": [ "(2r,3e)-2-hydroxy-n-[(2s,3r,4e,8e)-3-hydroxy-9-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentadeca-4,8-dien-2-yl]nonadec-3-enimidic acid", "Chrysogeside B" ], "molecular_formula": "C41H75NO9", "smiles": "CCCCCCCCCCCCCCC/C=C/[C@@H](O)C(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\\C)CCCCCC", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0141230", "npaid": "NPA008697" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "AVSVGIXGBAHHHO-POPOOAMJSA-N": { "inchikey": "AVSVGIXGBAHHHO-POPOOAMJSA-N", "inchikey2D": "AVSVGIXGBAHHHO", "names": [ "Chrysogenolide C", "methyl (1s,2s,11s,12r,14r,17r,19r,21r)-11-hydroxy-2,6,6,11,14,19-hexamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.0²,¹².0⁵,¹⁰.0¹⁷,²¹]henicosa-4,9-diene-1-carboxylate" ], "molecular_formula": "C26H32O9", "smiles": "COC(=O)[C@]12C(=O)[C@@H](C)O[C@@H]3OC(=O)[C@](C)(C[C@H]4[C@](C)(O)C5=CC(=O)OC(C)(C)C5=CC[C@@]41C)[C@@H]32", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0227779", "npaid": "NPA022470" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "HTOGTGFTMLQGFO-YTXTXJHMSA-N": { "inchikey": "HTOGTGFTMLQGFO-YTXTXJHMSA-N", "inchikey2D": "HTOGTGFTMLQGFO", "names": [ "(2e,4e)-1-(2,4,5-trihydroxy-3,6-dimethylphenyl)hexa-2,4-dien-1-one", "Sohirnone B" ], "molecular_formula": "C14H16O4", "smiles": "C/C=C/C=C/C(=O)c1c(C)c(O)c(O)c(C)c1O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0091387", "npaid": "NPA015701" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "ZNOSJWPDZUFPQD-UHFFFAOYSA-N": { "inchikey": "ZNOSJWPDZUFPQD-UHFFFAOYSA-N", "inchikey2D": "ZNOSJWPDZUFPQD", "names": [ "19-hydroxy-7,7,13,18,21-pentamethyl-6,11,14,16-tetraoxaspiro[hexacyclo[16.3.1.0³,⁸.0¹⁰,²¹.0¹²,²⁰.0¹⁵,¹⁹]docosane-2,2'-oxirane]-3,8,12(20)-triene-5,17-dione" ], "molecular_formula": "C24H26O8", "smiles": "CC1OC2OC(=O)C3(C)CC4C5(CO5)C5=CC(=O)OC(C)(C)C5=CC5OC1=C(C54C)C23O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0091718" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "OYVREVFYRWCTER-UHFFFAOYSA-N": { "inchikey": "OYVREVFYRWCTER-UHFFFAOYSA-N", "inchikey2D": "OYVREVFYRWCTER", "names": [ "7-ethoxy-3-hydroxy-5-(1-hydroxyhexa-2,4-dien-1-ylidene)-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione" ], "molecular_formula": "C18H24O5", "smiles": "CC=CC=CC(O)=C1C(=O)C2(C)C(=O)C(C)(O)C1CC2OCC", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0115718" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "PFVRHYUXQWBCHT-FZMZJTMJSA-N": { "inchikey": "PFVRHYUXQWBCHT-FZMZJTMJSA-N", "inchikey2D": "PFVRHYUXQWBCHT", "names": [ "5-{[(1r)-1-amino-1-{[(1s)-1-carboxy-2-methylpropyl]-c-hydroxycarbonimidoyl}-2-sulfanylethyl]-c-hydroxycarbonimidoyl}pentanoic acid" ], "molecular_formula": "C14H25N3O6S", "smiles": "CC(C)[C@H](N=C(O)[C@](N)(CS)N=C(O)CCCCC(=O)O)C(=O)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0112706" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "IVNCPSRGNXBTPP-UHFFFAOYSA-N": { "inchikey": "IVNCPSRGNXBTPP-UHFFFAOYSA-N", "inchikey2D": "IVNCPSRGNXBTPP", "names": [ "4,6-dichloro-5-methylbenzene-1,3-diol" ], "molecular_formula": "C7H6Cl2O2", "smiles": "Cc1c(Cl)c(O)cc(O)c1Cl", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0157394" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "SJEYUYPBCPRFNM-UHFFFAOYSA-N": { "inchikey": "SJEYUYPBCPRFNM-UHFFFAOYSA-N", "inchikey2D": "SJEYUYPBCPRFNM", "names": [ "4-(hexa-2,4-dienoyl)-3,6-dihydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one" ], "molecular_formula": "C14H16O4", "smiles": "CC=CC=CC(=O)C1=CC(C)(O)C(=O)C(C)=C1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0171759" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "ZZHZJRNCLIOQGM-UHFFFAOYSA-N": { "inchikey": "ZZHZJRNCLIOQGM-UHFFFAOYSA-N", "inchikey2D": "ZZHZJRNCLIOQGM", "names": [ "methyl 2,6,6,11,14,16-hexamethyl-8,15,20-trioxo-7,17,19-trioxapentacyclo[12.6.1.0²,¹².0⁵,¹⁰.0¹⁸,²¹]henicosa-4,10-diene-16-carboxylate" ], "molecular_formula": "C26H32O8", "smiles": "COC(=O)C1(C)OC2OC(=O)C3C2C(C)(CC2C(C)=C4CC(=O)OC(C)(C)C4=CCC23C)C1=O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0157165" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "DZSIQVIZFPZAMV-JHQFVBADSA-N": { "inchikey": "DZSIQVIZFPZAMV-JHQFVBADSA-N", "inchikey2D": "DZSIQVIZFPZAMV", "names": [ "(1r,2r,4e,6s,7s,9s,13z)-6,7,10-trihydroxy-4,13-bis[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,6,9,11-tetramethyl-8-oxatricyclo[7.4.0.0²,⁷]tridec-10-ene-3,5,12-trione" ], "molecular_formula": "C28H32O9", "smiles": "C/C=C/C=C/C(O)=C1/C(=O)C(C)=C(O)[C@@]2(C)O[C@@]3(O)[C@@](C)(C(=O)/C(=C(O)/C=C/C=C/C)C(=O)[C@]3(C)O)[C@@H]12", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0165737" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "YVLSHRWZRCIYQN-JNULFILWSA-N": { "inchikey": "YVLSHRWZRCIYQN-JNULFILWSA-N", "inchikey2D": "YVLSHRWZRCIYQN", "names": [ "(1r,3s,4s,5e,7s)-7-ethoxy-3-hydroxy-5-[(4e)-1-hydroxyhex-4-en-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione" ], "molecular_formula": "C18H26O5", "smiles": "C/C=C/CC/C(O)=C1\\C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1C[C@@H]2OCC", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0167171" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "DLRVVLDZNNYCBX-VHBGUFLRSA-N": { "inchikey": "DLRVVLDZNNYCBX-VHBGUFLRSA-N", "inchikey2D": "DLRVVLDZNNYCBX", "names": [ "β-allolactose" ], "molecular_formula": "C12H22O11", "smiles": "OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0166500" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "JISAMVURFWNIKQ-VFNWGFHPSA-N": { "inchikey": "JISAMVURFWNIKQ-VFNWGFHPSA-N", "inchikey2D": "JISAMVURFWNIKQ", "names": [ "(3s,4s)-5-(7-hydroxy-2,2-dimethylchromene-8-carbonyl)-8-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1-benzopyran-4,6-diol" ], "molecular_formula": "C25H26O6", "smiles": "C=C(C)[C@H]1COc2c(C)cc(O)c(C(=O)c3c(O)ccc4c3OC(C)(C)C=C4)c2[C@H]1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0071585" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "VOOPCCURDRUEPN-PLQZLIEUSA-N": { "inchikey": "VOOPCCURDRUEPN-PLQZLIEUSA-N", "inchikey2D": "VOOPCCURDRUEPN", "names": [ "(4s,6s)-6-[(10r)-7,10-dihydroxy-5,7-dimethylundecyl]-4-hydroxyoxan-2-one", "Penicitide B" ], "molecular_formula": "C18H34O5", "smiles": "CC(CCCC[C@H]1C[C@H](O)CC(=O)O1)CC(C)(O)CC[C@@H](C)O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0213253", "npaid": "NPA007389" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "OSDSZHQNFBBDRR-MIABJUDESA-N": { "inchikey": "OSDSZHQNFBBDRR-MIABJUDESA-N", "inchikey2D": "OSDSZHQNFBBDRR", "names": [ "(3s,6s,9r,12s,19s)-5,8,11,14,17-pentahydroxy-3,12-diisopropyl-6-methyl-9-(2-methylpropyl)-19-[(2s)-octan-2-yl]-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one" ], "molecular_formula": "C32H57N5O7", "smiles": "CCCCCC[C@H](C)[C@@H]1CC(O)=NCC(O)=N[C@@H](C(C)C)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](C(C)C)C(=O)O1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0274565" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "ZSSGCZVAMMVAPO-CTUXNYLFSA-N": { "inchikey": "ZSSGCZVAMMVAPO-CTUXNYLFSA-N", "inchikey2D": "ZSSGCZVAMMVAPO", "names": [ "(2r,3e)-2-hydroxy-n-[(2s,3r,4e,8z)-3-hydroxy-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-4,8-dien-2-yl]octadec-3-enimidic acid", "Chrysogeside A" ], "molecular_formula": "C40H73NO9", "smiles": "CCCCCCC/C=C\\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N=C(O)[C@H](O)/C=C/CCCCCCCCCCCCCC", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0183351", "npaid": "NPA012575" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "SPWSUFUPTSJWNG-SURRRPEOSA-N": { "inchikey": "SPWSUFUPTSJWNG-SURRRPEOSA-N", "inchikey2D": "SPWSUFUPTSJWNG", "names": [ "(1r,4z,7r,9s)-6-hydroxy-4-(3h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one" ], "molecular_formula": "C22H23N5O2", "smiles": "C=CC(C)(C)[C@]12C[C@@H]3C(O)=N/C(=C\\c4cnc[nH]4)C(=O)N3[C@H]1Nc1ccccc12", "species": [ "[query-hint] Penicillium chrysogenum", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0189752" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "PZLKKLWFFFEJHP-UHFFFAOYSA-N": { "inchikey": "PZLKKLWFFFEJHP-UHFFFAOYSA-N", "inchikey2D": "PZLKKLWFFFEJHP", "names": [ "1-(2,4-dihydroxy-5-methylphenyl)hex-4-en-1-one" ], "molecular_formula": "C13H16O3", "smiles": "CC=CCCC(=O)c1cc(C)c(O)cc1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0257540" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "SVFCQQXAVRBPAJ-UHFFFAOYSA-N": { "inchikey": "SVFCQQXAVRBPAJ-UHFFFAOYSA-N", "inchikey2D": "SVFCQQXAVRBPAJ", "names": [ "3,6-dimethyl-2,5-bis[2-methyl-3-(4-nitrophenyl)oxirane-2-carbonyl]-7-oxa-2,5-diazabicyclo[2.2.1]heptane" ], "molecular_formula": "C26H26N4O9", "smiles": "CC1C2OC(C(C)N2C(=O)C2(C)OC2c2ccc([N+](=O)[O-])cc2)N1C(=O)C1(C)OC1c1ccc([N+](=O)[O-])cc1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0243893" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "JSSFRHLBNRCOAQ-QKAXFWGASA-N": { "inchikey": "JSSFRHLBNRCOAQ-QKAXFWGASA-N", "inchikey2D": "JSSFRHLBNRCOAQ", "names": [ "(2r,6z)-2,5-dihydroxy-6-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,4-dimethylcyclohex-4-ene-1,3-dione", "Oxosorbicillinol (tautomer)" ], "molecular_formula": "C14H16O5", "smiles": "C/C=C/C=C/C(O)=C1/C(=O)[C@](C)(O)C(=O)C(C)=C1O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0264754", "npaid": "NPA008888" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "JSSFRHLBNRCOAQ-UHFFFAOYSA-N": { "inchikey": "JSSFRHLBNRCOAQ-UHFFFAOYSA-N", "inchikey2D": "JSSFRHLBNRCOAQ", "names": [ "2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione" ], "molecular_formula": "C14H16O5", "smiles": "CC=CC=CC(O)=C1C(=O)C(C)(O)C(=O)C(C)=C1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0179808" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "IRTSNPJRIJTNNN-VXMMYZNKSA-N": { "inchikey": "IRTSNPJRIJTNNN-VXMMYZNKSA-N", "inchikey2D": "IRTSNPJRIJTNNN", "names": [ "Chrysoxanthone B", "methyl (3s,4r,4ar)-4,8,9-trihydroxy-7-[(2r)-5-hydroxy-2-(methoxycarbonyl)-2-[(2r,3r)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3h-1-benzopyran-6-yl]-3-methyl-1-oxo-3,4-dihydro-2h-xanthene-4a-carboxylate" ], "molecular_formula": "C32H30O14", "smiles": "COC(=O)[C@]1([C@@H]2OC(=O)C[C@H]2C)CC(=O)c2c(ccc(-c3ccc4c(c3O)C(O)=C3C(=O)C[C@H](C)[C@@H](O)[C@]3(C(=O)OC)O4)c2O)O1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0179359", "npaid": "NPA023459" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "BPJRZPAHXODCEI-UHFFFAOYSA-N": { "inchikey": "BPJRZPAHXODCEI-UHFFFAOYSA-N", "inchikey2D": "BPJRZPAHXODCEI", "names": [ "6-(2,4-dihydroxybutan-2-yl)-15-hydroxy-5-methyltetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one" ], "molecular_formula": "C23H34O4", "smiles": "CC(O)(CCO)C1CCC2C3=CC(=O)C4CC(=CCC(O)C4)C3CCC21C", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0119554" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "HDGOYEAHQQCXLC-GTRYZRFHSA-N": { "inchikey": "HDGOYEAHQQCXLC-GTRYZRFHSA-N", "inchikey2D": "HDGOYEAHQQCXLC", "names": [ "(2r,5r,6r,9r,13s,15s)-6-[(2z)-4,5-dihydroxyhex-2-en-2-yl]-15-hydroxy-5-methyltetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one", "Pesudocyclocitrinol A" ], "molecular_formula": "C25H36O4", "smiles": "C/C(=C/C(O)C(C)O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0174468", "npaid": "NPA017540" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "JGSARLDLIJGVTE-UHFFFAOYSA-N": { "inchikey": "JGSARLDLIJGVTE-UHFFFAOYSA-N", "inchikey2D": "JGSARLDLIJGVTE", "names": [ "6-[(1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" ], "molecular_formula": "C16H18N2O4S", "smiles": "CC1(C)SC2C(N=C(O)Cc3ccccc3)C(=O)N2C1C(=O)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0189527" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "JTJJJLSLKZFEPJ-LICLKQGHSA-N": { "inchikey": "JTJJJLSLKZFEPJ-LICLKQGHSA-N", "inchikey2D": "JTJJJLSLKZFEPJ", "names": [ "(14e)-11,15-dihydroxy-14-(3h-imidazol-4-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10,15-pentaen-12-one" ], "molecular_formula": "C23H23N5O4", "smiles": "C=CC(C)(C)C12C=C(O)C(=O)N3/C(=C/c4cnc[nH]4)C(O)=NC31N(OC)c1ccccc12", "species": [ "[query-hint] Penicillium chrysogenum", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0160418" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "FNQPTDUMOGZQBY-VIFPVBQESA-N": { "inchikey": "FNQPTDUMOGZQBY-VIFPVBQESA-N", "inchikey2D": "FNQPTDUMOGZQBY", "names": [ "5-[(1s)-1-hydroxybutyl]-6-(hydroxymethyl)pyridin-2-ol", "Chrysogedone B" ], "molecular_formula": "C10H15NO3", "smiles": "CCC[C@H](O)c1ccc(O)nc1CO", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0115403", "npaid": "NPA005960" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "RTKQIIFTWBXBNL-ZHRRBRCNSA-N": { "inchikey": "RTKQIIFTWBXBNL-ZHRRBRCNSA-N", "inchikey2D": "RTKQIIFTWBXBNL", "names": [ "(3s,4s)-5-(7-methoxy-2,2-dimethylchromene-8-carbonyl)-8-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1-benzopyran-4,6-diol" ], "molecular_formula": "C26H28O6", "smiles": "C=C(C)[C@H]1COc2c(C)cc(O)c(C(=O)c3c(OC)ccc4c3OC(C)(C)C=C4)c2[C@H]1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0176641" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "VXYHQHOVSPABTG-UHFFFAOYSA-N": { "inchikey": "VXYHQHOVSPABTG-UHFFFAOYSA-N", "inchikey2D": "VXYHQHOVSPABTG", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-4,5,7,10-tetrahydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-2-yl acetate" ], "molecular_formula": "C30H50O6", "smiles": "CC(=O)OC1CC2C3C(O)C(O)C4CC(O)CCC4(C)C3C(O)CC2(C)C1C(C)C=CC(C)C(C)C", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0107532" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "UMCGQJQCISUBIM-IWLGAPBKSA-N": { "inchikey": "UMCGQJQCISUBIM-IWLGAPBKSA-N", "inchikey2D": "UMCGQJQCISUBIM", "names": [ "(4z,7s,9r)-12-bromo-6-hydroxy-4-[hydroxy(3h-imidazol-4-yl)methylidene]-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one", "11-bromo-17-hydroxyroquefortine C" ], "molecular_formula": "C22H22BrN5O3", "smiles": "C=CC(C)(C)[C@@]12C[C@H]3C(O)=N/C(=C(\\O)c4cnc[nH]4)C(=O)N3C1Nc1ccc(Br)cc12", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0125581", "npaid": "NPA008342" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "QQBOFNUXGPKLIK-SNAWJCMRSA-N": { "inchikey": "QQBOFNUXGPKLIK-SNAWJCMRSA-N", "inchikey2D": "QQBOFNUXGPKLIK", "names": [ "(4e)-1-(2,4-dihydroxy-3,5-dimethylphenyl)hex-4-en-1-one" ], "molecular_formula": "C14H18O3", "smiles": "C/C=C/CCC(=O)c1cc(C)c(O)c(C)c1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0079585" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "QZGXXZPRJHSVTD-UHFFFAOYSA-N": { "inchikey": "QZGXXZPRJHSVTD-UHFFFAOYSA-N", "inchikey2D": "QZGXXZPRJHSVTD", "names": [ "3,9-dihydroxy-7-methoxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6(11),7,9,14-hexaene-5,12-dione" ], "molecular_formula": "C21H18O7", "smiles": "COc1cc(O)cc2c1C(=O)c1c(cc3c(c1O)C1CCCC(C)(O3)O1)C2=O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0269373" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "POOKHYNGUAZJAE-UHFFFAOYSA-N": { "inchikey": "POOKHYNGUAZJAE-UHFFFAOYSA-N", "inchikey2D": "POOKHYNGUAZJAE", "names": [ "7-(hexa-2,4-dienoyl)-3-hydroxy-8-(3-hydroxy-2,4-dimethyl-5-oxofuran-2-yl)-5-(1-hydroxyhexa-2,4-dien-1-ylidene)-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione" ], "molecular_formula": "C28H32O8", "smiles": "CC=CC=CC(=O)C1C(C2(C)OC(=O)C(C)=C2O)C2C(=C(O)C=CC=CC)C(=O)C1(C)C(=O)C2(C)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0269806" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "OYVREVFYRWCTER-TZVOBCHZSA-N": { "inchikey": "OYVREVFYRWCTER-TZVOBCHZSA-N", "inchikey2D": "OYVREVFYRWCTER", "names": [ "7-ethoxy-3-hydroxy-5-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione" ], "molecular_formula": "C18H24O5", "smiles": "C/C=C/C=C/C(O)=C1C(=O)C2(C)C(=O)C(C)(O)C1CC2OCC", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0052830" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "VYQBNTAGDJBPQX-UWVGGRQHSA-N": { "inchikey": "VYQBNTAGDJBPQX-UWVGGRQHSA-N", "inchikey2D": "VYQBNTAGDJBPQX", "names": [ "3,6-dimethyl-2-[(2s,4s)-4-methylhexan-2-yl]pyran-4-one" ], "molecular_formula": "C14H22O2", "smiles": "CC[C@H](C)C[C@H](C)c1oc(C)cc(=O)c1C", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0249491" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "HDGOYEAHQQCXLC-UHFFFAOYSA-N": { "inchikey": "HDGOYEAHQQCXLC-UHFFFAOYSA-N", "inchikey2D": "HDGOYEAHQQCXLC", "names": [ "6-(4,5-dihydroxyhex-2-en-2-yl)-15-hydroxy-5-methyltetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one" ], "molecular_formula": "C25H36O4", "smiles": "CC(=CC(O)C(C)O)C1CCC2C3=CC(=O)C4CC(=CCC(O)C4)C3CCC12C", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0075546" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "HGGDUZQCHPXQPL-WQBKXUAISA-N": { "inchikey": "HGGDUZQCHPXQPL-WQBKXUAISA-N", "inchikey2D": "HGGDUZQCHPXQPL", "names": [ "(1r,3ar,5r,5ar,7s,9ar,9br,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,7-diol" ], "molecular_formula": "C28H46O2", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0214227" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "DAMFGEJLZPWDOH-UHFFFAOYSA-N": { "inchikey": "DAMFGEJLZPWDOH-UHFFFAOYSA-N", "inchikey2D": "DAMFGEJLZPWDOH", "names": [ "1,3-dihydroxypropan-2-yl 2,4-dihydroxy-6-methylbenzoate", "2-(2,4-dihydroxy-6-methylbenzoyl)-glycerol" ], "molecular_formula": "C11H14O6", "smiles": "Cc1cc(O)cc(O)c1C(=O)OC(CO)CO", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0040213", "npaid": "NPA007372" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "KLQGVWIQLPTWBL-SNAWJCMRSA-N": { "inchikey": "KLQGVWIQLPTWBL-SNAWJCMRSA-N", "inchikey2D": "KLQGVWIQLPTWBL", "names": [ "(4e)-1-(2,4,5-trihydroxy-3,6-dimethylphenyl)hex-4-en-1-one", "Sohirnone C" ], "molecular_formula": "C14H18O4", "smiles": "C/C=C/CCC(=O)c1c(C)c(O)c(O)c(C)c1O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0203264", "npaid": "NPA014874" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "JVDDIVGIOPXACU-VRXWENIWSA-N": { "inchikey": "JVDDIVGIOPXACU-VRXWENIWSA-N", "inchikey2D": "JVDDIVGIOPXACU", "names": [ "(2s,3r)-n-[(2s,4s,5s)-2-acetyl-4-methyl-3-[(2s,3r)-2-methyl-3-(4-nitrophenyl)oxirane-2-carbonyl]-1,3-oxazolidin-5-yl]-2-methyl-3-(4-nitrophenyl)oxirane-2-carboximidic acid", "Chrysamide C" ], "molecular_formula": "C26H26N4O10", "smiles": "CC(=O)[C@@H]1O[C@H](N=C(O)[C@@]2(C)O[C@@H]2c2ccc([N+](=O)[O-])cc2)[C@H](C)N1C(=O)[C@@]1(C)O[C@@H]1c1ccc([N+](=O)[O-])cc1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0213117", "npaid": "NPA018670" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "ATWGXAMVMZHCKK-UHFFFAOYSA-N": { "inchikey": "ATWGXAMVMZHCKK-UHFFFAOYSA-N", "inchikey2D": "ATWGXAMVMZHCKK", "names": [ "4-hydroxy-6-(10-hydroxy-5,7-dimethylundecyl)oxan-2-one" ], "molecular_formula": "C18H34O4", "smiles": "CC(O)CCC(C)CC(C)CCCCC1CC(O)CC(=O)O1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0272819" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "BXXKDKYMYMHCKH-BXJCWQANSA-N": { "inchikey": "BXXKDKYMYMHCKH-BXJCWQANSA-N", "inchikey2D": "BXXKDKYMYMHCKH", "names": [ "(1r,4r)-1-[(2s)-butan-2-yl]-3-hydroxy-4-isopropyl-1,8-dimethoxy-4h-pyrazino[2,1-b]quinazolin-6-one" ], "molecular_formula": "C20H27N3O4", "smiles": "CC[C@H](C)[C@]1(OC)N=C(O)[C@@H](C(C)C)n2c1nc1ccc(OC)cc1c2=O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0214208" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "GSRGQKYQEBYBAG-NAUUYRRVSA-N": { "inchikey": "GSRGQKYQEBYBAG-NAUUYRRVSA-N", "inchikey2D": "GSRGQKYQEBYBAG", "names": [ "(1r,3s,4s,5z,7s)-3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-5-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione", "Sorbicatechol B" ], "molecular_formula": "C23H26O6", "smiles": "C/C=C/C=C/C(O)=C1/C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1C[C@H]2c1ccc(O)c(OC)c1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0218912", "npaid": "NPA001454" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "VYXACYPGPFEMTM-UHFFFAOYSA-N": { "inchikey": "VYXACYPGPFEMTM-UHFFFAOYSA-N", "inchikey2D": "VYXACYPGPFEMTM", "names": [ "2-[2-chloro-5-hydroxy-6-(methoxycarbonyl)-3-methylphenoxy]-3,5-dimethoxybenzoic acid" ], "molecular_formula": "C18H17ClO8", "smiles": "COC(=O)c1c(O)cc(C)c(Cl)c1Oc1c(OC)cc(OC)cc1C(=O)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0210133" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "JTJJJLSLKZFEPJ-XNXFLARESA-N": { "inchikey": "JTJJJLSLKZFEPJ-XNXFLARESA-N", "inchikey2D": "JTJJJLSLKZFEPJ", "names": [ "(1s,9s,14z)-11,15-dihydroxy-14-(3h-imidazol-4-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10,15-pentaen-12-one" ], "molecular_formula": "C23H23N5O4", "smiles": "C=CC(C)(C)[C@]12C=C(O)C(=O)N3/C(=C\\c4cnc[nH]4)C(O)=N[C@]31N(OC)c1ccccc12", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0210584" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "AXLMQGRRCSKYDG-OVCGOVNKSA-N": { "inchikey": "AXLMQGRRCSKYDG-OVCGOVNKSA-N", "inchikey2D": "AXLMQGRRCSKYDG", "names": [ "(2e)-4-methoxy-n-[(2s)-1-methoxy-1-oxopropan-2-yl]-4-oxobut-2-enimidic acid" ], "molecular_formula": "C9H13NO5", "smiles": "COC(=O)/C=C/C(O)=N[C@@H](C)C(=O)OC", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0273101" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "RTXQUMJZISQWEA-UHFFFAOYSA-N": { "inchikey": "RTXQUMJZISQWEA-UHFFFAOYSA-N", "inchikey2D": "RTXQUMJZISQWEA", "names": [ "methyl 2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetate" ], "molecular_formula": "C14H18O3", "smiles": "COC(=O)Cc1ccc(O)c(CC=C(C)C)c1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0084495" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "ZZHZJRNCLIOQGM-LWDXKWSNSA-N": { "inchikey": "ZZHZJRNCLIOQGM-LWDXKWSNSA-N", "inchikey2D": "ZZHZJRNCLIOQGM", "names": [ "Chrysogenolide H", "methyl (1r,2s,12r,14r,16r,18s,21s)-2,6,6,11,14,16-hexamethyl-8,15,20-trioxo-7,17,19-trioxapentacyclo[12.6.1.0²,¹².0⁵,¹⁰.0¹⁸,²¹]henicosa-4,10-diene-16-carboxylate" ], "molecular_formula": "C26H32O8", "smiles": "COC(=O)[C@]1(C)O[C@H]2OC(=O)[C@@H]3[C@H]2[C@@](C)(C[C@H]2C(C)=C4CC(=O)OC(C)(C)C4=CC[C@@]23C)C1=O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0228592", "npaid": "NPA022475" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "JTJJJLSLKZFEPJ-UHFFFAOYSA-N": { "inchikey": "JTJJJLSLKZFEPJ-UHFFFAOYSA-N", "inchikey2D": "JTJJJLSLKZFEPJ", "names": [ "11-hydroxy-14-(1h-imidazol-4-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10-tetraene-12,15-dione" ], "molecular_formula": "C23H23N5O4", "smiles": "C=CC(C)(C)C12C=C(O)C(=O)N3C(=Cc4c[nH]cn4)C(=O)NC31N(OC)c1ccccc12", "species": [ "[query-hint] Penicillium chrysogenum", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0227258" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "DIFREUFYEBCDCG-YZTUOPDFSA-N": { "inchikey": "DIFREUFYEBCDCG-YZTUOPDFSA-N", "inchikey2D": "DIFREUFYEBCDCG", "names": [ "(3r,5r,7r,8s)-3-methoxy-3,7,8,10-tetramethyl-2,6-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-11-ol", "Penicitrinol E" ], "molecular_formula": "C16H22O4", "smiles": "CO[C@@]1(C)C[C@H]2O[C@H](C)[C@@H](C)c3c(C)c(O)cc(c32)O1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0222295", "npaid": "NPA008044" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "YXRNBINBWSPBRC-UHFFFAOYSA-N": { "inchikey": "YXRNBINBWSPBRC-UHFFFAOYSA-N", "inchikey2D": "YXRNBINBWSPBRC", "names": [ "ethyl 3,5-dichloro-2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoate" ], "molecular_formula": "C19H18Cl2O8", "smiles": "CCOC(=O)c1c(O)c(Cl)c(C)c(Cl)c1Oc1c(OC)cc(O)cc1C(=O)OC", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0218786" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "GQSKRVQYDWZFKS-UHFFFAOYSA-N": { "inchikey": "GQSKRVQYDWZFKS-UHFFFAOYSA-N", "inchikey2D": "GQSKRVQYDWZFKS", "names": [ "2-[(1-{[2-(c-hydroxycarbonimidoyl)phenyl]-c-hydroxycarbonimidoyl}ethyl)-c-hydroxycarbonimidoyl]acetic acid" ], "molecular_formula": "C13H15N3O5", "smiles": "CC(N=C(O)CC(=O)O)C(O)=Nc1ccccc1C(=N)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0217368" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "OSAXTPCZBXLUPQ-UHFFFAOYSA-N": { "inchikey": "OSAXTPCZBXLUPQ-UHFFFAOYSA-N", "inchikey2D": "OSAXTPCZBXLUPQ", "names": [ "3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.0¹,⁶.0¹⁰,¹⁴]pentadecan-5-one" ], "molecular_formula": "C20H32O3", "smiles": "CC1C(O)CC(=O)C2(C)CCC3C4C(C)(CO)CCC4(C)CC132", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0218925" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "REQRRQKXUWRLQY-UHFFFAOYSA-N": { "inchikey": "REQRRQKXUWRLQY-UHFFFAOYSA-N", "inchikey2D": "REQRRQKXUWRLQY", "names": [ "5,6-dihydroxy-2-(1-hydroxyhexa-2,4-dien-1-ylidene)-4,6-dimethylcyclohex-4-ene-1,3-dione" ], "molecular_formula": "C14H16O5", "smiles": "CC=CC=CC(O)=C1C(=O)C(C)=C(O)C(C)(O)C1=O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0083454" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "KKYKYAWAXUYVNI-TZVOBCHZSA-N": { "inchikey": "KKYKYAWAXUYVNI-TZVOBCHZSA-N", "inchikey2D": "KKYKYAWAXUYVNI", "names": [ "7-ethoxy-5,6-dihydroxy-3-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,5-dimethylbicyclo[2.2.2]octan-2-one" ], "molecular_formula": "C18H26O5", "smiles": "C/C=C/C=C/C(O)=C1C(=O)C2(C)C(OCC)CC1C(C)(O)C2O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0077865" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "RGQOTIXSCBSMSR-UHFFFAOYSA-N": { "inchikey": "RGQOTIXSCBSMSR-UHFFFAOYSA-N", "inchikey2D": "RGQOTIXSCBSMSR", "names": [ "7,7,13,18,21-pentamethyl-6,11,14,16-tetraoxaspiro[hexacyclo[16.3.1.0³,⁸.0¹⁰,²¹.0¹²,²⁰.0¹⁵,¹⁹]docosane-2,2'-oxirane]-3,8,12(20)-triene-5,17-dione" ], "molecular_formula": "C24H26O7", "smiles": "CC1OC2OC(=O)C3(C)CC4C5(CO5)C5=CC(=O)OC(C)(C)C5=CC5OC1=C(C23)C54C", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0170619" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "ZVSKJEHFCITPQT-UHFFFAOYSA-N": { "inchikey": "ZVSKJEHFCITPQT-UHFFFAOYSA-N", "inchikey2D": "ZVSKJEHFCITPQT", "names": [ "2-hydroxy-n-(3-hydroxy-9-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentadeca-4,8-dien-2-yl)nonadec-3-enimidic acid" ], "molecular_formula": "C41H75NO9", "smiles": "CCCCCCCCCCCCCCCC=CC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=C(C)CCCCCC", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0153054" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "LPLFVWKHFVLGEC-DTRKPXCKSA-N": { "inchikey": "LPLFVWKHFVLGEC-DTRKPXCKSA-N", "inchikey2D": "LPLFVWKHFVLGEC", "names": [ "(4e,7s,9r)-12-bromo-6-hydroxy-4-(3h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one", "Bromoroquefortine C" ], "molecular_formula": "C22H22BrN5O2", "smiles": "C=CC(C)(C)[C@@]12C[C@H]3C(O)=N/C(=C/c4cnc[nH]4)C(=O)N3C1Nc1ccc(Br)cc12", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0160733", "npaid": "NPA003229" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "IRTSNPJRIJTNNN-AKBFVYQBSA-N": { "inchikey": "IRTSNPJRIJTNNN-AKBFVYQBSA-N", "inchikey2D": "IRTSNPJRIJTNNN", "names": [ "Chrysoxanthone C", "methyl (3s,4r,4ar)-4,8,9-trihydroxy-7-[(2r)-5-hydroxy-2-(methoxycarbonyl)-2-[(2s,3s)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3h-1-benzopyran-6-yl]-3-methyl-1-oxo-3,4-dihydro-2h-xanthene-4a-carboxylate" ], "molecular_formula": "C32H30O14", "smiles": "COC(=O)[C@]1([C@H]2OC(=O)C[C@@H]2C)CC(=O)c2c(ccc(-c3ccc4c(c3O)C(O)=C3C(=O)C[C@H](C)[C@@H](O)[C@]3(C(=O)OC)O4)c2O)O1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0235702", "npaid": "NPA023460" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "VKGZCEJTCKHMRL-VWJPMABRSA-N": { "inchikey": "VKGZCEJTCKHMRL-VWJPMABRSA-N", "inchikey2D": "VKGZCEJTCKHMRL", "names": [ "atp - adenosine triphosphate" ], "molecular_formula": "C14H17N5O8", "smiles": "O=C(O)C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0176098" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "PNZUHMALUWDEMC-AENRNCCWSA-N": { "inchikey": "PNZUHMALUWDEMC-AENRNCCWSA-N", "inchikey2D": "PNZUHMALUWDEMC", "names": [ "(2r,5r)-2,5-dimethyl-1,4-bis[(2s,3r)-2-methyl-3-(4-nitrophenyl)oxirane-2-carbonyl]piperazine" ], "molecular_formula": "C26H28N4O8", "smiles": "C[C@@H]1CN(C(=O)[C@@]2(C)O[C@@H]2c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C(=O)[C@@]1(C)O[C@@H]1c1ccc([N+](=O)[O-])cc1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0158143" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "OFBHPPMPBOJXRT-VWJPMABRSA-N": { "inchikey": "OFBHPPMPBOJXRT-VWJPMABRSA-N", "inchikey2D": "OFBHPPMPBOJXRT", "names": [ "adenylosuccinic acid" ], "molecular_formula": "C14H18N5O11P", "smiles": "O=C(O)C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)C(=O)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0157716" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "UEKMRJMHABAHOC-UHFFFAOYSA-N": { "inchikey": "UEKMRJMHABAHOC-UHFFFAOYSA-N", "inchikey2D": "UEKMRJMHABAHOC", "names": [ "2-(hexa-2,4-dienoyl)-5-hydroxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione" ], "molecular_formula": "C14H14O4", "smiles": "CC=CC=CC(=O)C1=C(C)C(=O)C(O)=C(C)C1=O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0184088" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "JVDDIVGIOPXACU-UHFFFAOYSA-N": { "inchikey": "JVDDIVGIOPXACU-UHFFFAOYSA-N", "inchikey2D": "JVDDIVGIOPXACU", "names": [ "n-{2-acetyl-4-methyl-3-[2-methyl-3-(4-nitrophenyl)oxirane-2-carbonyl]-1,3-oxazolidin-5-yl}-2-methyl-3-(4-nitrophenyl)oxirane-2-carboximidic acid" ], "molecular_formula": "C26H26N4O10", "smiles": "CC(=O)C1OC(N=C(O)C2(C)OC2c2ccc([N+](=O)[O-])cc2)C(C)N1C(=O)C1(C)OC1c1ccc([N+](=O)[O-])cc1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0212460" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "QIMOHLBPZKFSBJ-UHFFFAOYSA-N": { "inchikey": "QIMOHLBPZKFSBJ-UHFFFAOYSA-N", "inchikey2D": "QIMOHLBPZKFSBJ", "names": [ "4-methoxy-5-methyl-2-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phenol" ], "molecular_formula": "C23H34O2", "smiles": "COc1cc(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)cc1C", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0213693" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "XFMFIGWGIQJRSI-UHFFFAOYSA-N": { "inchikey": "XFMFIGWGIQJRSI-UHFFFAOYSA-N", "inchikey2D": "XFMFIGWGIQJRSI", "names": [ "9-hydroxy-10-(1-hydroxyhexa-2,4-dien-1-ylidene)-6-(hydroxymethyl)-7,9-dimethyl-3-oxatricyclo[5.2.2.0²,⁶]undecane-4,8,11-trione" ], "molecular_formula": "C19H22O7", "smiles": "CC=CC=CC(O)=C1C(=O)C2(C)C(=O)C(C)(O)C1C1OC(=O)CC12CO", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0021341" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "GZCGUPFRVQAUEE-UHFFFAOYSA-N": { "inchikey": "GZCGUPFRVQAUEE-UHFFFAOYSA-N", "inchikey2D": "GZCGUPFRVQAUEE", "names": [ "dextrose" ], "molecular_formula": "C6H12O6", "smiles": "O=CC(O)C(O)C(O)C(O)CO", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0241274" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "KXOMTJKMEGIGSP-VIFPVBQESA-N": { "inchikey": "KXOMTJKMEGIGSP-VIFPVBQESA-N", "inchikey2D": "KXOMTJKMEGIGSP", "names": [ "5-[(1s)-1-hydroxybutyl]-6-methylpyridin-2-ol", "Chrysogedone A" ], "molecular_formula": "C10H15NO2", "smiles": "CCC[C@H](O)c1ccc(O)nc1C", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0022220", "npaid": "NPA008712" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "CNOXPHKUUAMNSN-UHFFFAOYSA-N": { "inchikey": "CNOXPHKUUAMNSN-UHFFFAOYSA-N", "inchikey2D": "CNOXPHKUUAMNSN", "names": [ "6,29-dihydroxy-7,9,16,30-tetramethyl-18,28-diazahexacyclo[14.13.1.0¹,¹³.0¹⁷,²⁵.0¹⁹,²⁴.0²⁷,³⁰]triaconta-3,7,11,17(25),19,21,23,28-octaene-2,5-dione" ], "molecular_formula": "C32H36N2O4", "smiles": "CC1=CC(C)CC=CC2CCC3(C)c4[nH]c5ccccc5c4CC4N=C(O)C2(C(=O)C=CC(=O)C1O)C43C", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0231263" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "SDDISZQGGKXBSJ-IUODEOHRSA-N": { "inchikey": "SDDISZQGGKXBSJ-IUODEOHRSA-N", "inchikey2D": "SDDISZQGGKXBSJ", "names": [ "(6r,7r)-3-[(acetyloxy)methyl]-7-[(5-carboxy-1-hydroxypentylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid", "Adipyl-7-aminocephalosporanic acid" ], "molecular_formula": "C16H20N2O8S", "smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)CCCCC(=O)O)[C@H]2SC1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0240196", "npaid": "NPA001791" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "UCXIVCGQGYMRDA-CTDJYQMMSA-N": { "inchikey": "UCXIVCGQGYMRDA-CTDJYQMMSA-N", "inchikey2D": "UCXIVCGQGYMRDA", "names": [ "(2r,3r,5r,6r,9r,13s,15s)-6-[(2e)-4,5-dihydroxyhex-2-en-2-yl]-3,15-dihydroxy-5-methyltetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one", "Erythro-11α-hydroxyneocyclocitrinol" ], "molecular_formula": "C25H36O5", "smiles": "C/C(=C\\C(O)C(C)O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3[C@H](O)C[C@]12C", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0237702", "npaid": "NPA003245" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "DKOXVDVXOYHFHV-UHFFFAOYSA-N": { "inchikey": "DKOXVDVXOYHFHV-UHFFFAOYSA-N", "inchikey2D": "DKOXVDVXOYHFHV", "names": [ "5-hydroxy-4-methyl-1-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-one" ], "molecular_formula": "C22H32O3", "smiles": "CC(C)=CCCC(C)=CCCC(C)=CCC12OC1C(O)C(C)=CC2=O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0237376" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "KZVOPAQDRLYEAP-UHFFFAOYSA-N": { "inchikey": "KZVOPAQDRLYEAP-UHFFFAOYSA-N", "inchikey2D": "KZVOPAQDRLYEAP", "names": [ "4,13-bis(hexa-2,4-dienoyl)-3,6,7,10,12-pentahydroxy-2,6,9,11-tetramethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-3,10,12-trien-5-one" ], "molecular_formula": "C28H32O9", "smiles": "CC=CC=CC(=O)C1=C(O)C2(C)C3C(C(=O)C=CC=CC)=C(O)C(C)=C(O)C3(C)OC2(O)C(C)(O)C1=O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0231741" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "XFMFIGWGIQJRSI-SNOQOWJFSA-N": { "inchikey": "XFMFIGWGIQJRSI-SNOQOWJFSA-N", "inchikey2D": "XFMFIGWGIQJRSI", "names": [ "(1r,2s,6r,7r,9s,10e)-9-hydroxy-10-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-6-(hydroxymethyl)-7,9-dimethyl-3-oxatricyclo[5.2.2.0²,⁶]undecane-4,8,11-trione", "Rezishanone A" ], "molecular_formula": "C19H22O7", "smiles": "C/C=C/C=C/C(O)=C1\\C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@@H]1OC(=O)C[C@@]12CO", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0213699", "npaid": "NPA001563" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "IRTSNPJRIJTNNN-ZZDUXPKCSA-N": { "inchikey": "IRTSNPJRIJTNNN-ZZDUXPKCSA-N", "inchikey2D": "IRTSNPJRIJTNNN", "names": [ "Chrysoxanthone A", "methyl (3s,4r,4ar)-4,8,9-trihydroxy-7-[(2s)-5-hydroxy-2-(methoxycarbonyl)-2-[(2s,3s)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3h-1-benzopyran-6-yl]-3-methyl-1-oxo-3,4-dihydro-2h-xanthene-4a-carboxylate" ], "molecular_formula": "C32H30O14", "smiles": "COC(=O)[C@@]1([C@H]2OC(=O)C[C@@H]2C)CC(=O)c2c(ccc(-c3ccc4c(c3O)C(O)=C3C(=O)C[C@H](C)[C@@H](O)[C@]3(C(=O)OC)O4)c2O)O1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0232070", "npaid": "NPA023458" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "AXAOTVYUULFFTE-UHFFFAOYSA-N": { "inchikey": "AXAOTVYUULFFTE-UHFFFAOYSA-N", "inchikey2D": "AXAOTVYUULFFTE", "names": [ "2-hydroxy-n-(3-hydroxy-9-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentadeca-4,8-dien-2-yl)nonadecanimidic acid" ], "molecular_formula": "C41H77NO9", "smiles": "CCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=C(C)CCCCCC", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0197260" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "WMJMZLGVIAIFFR-BMSBYHRTSA-N": { "inchikey": "WMJMZLGVIAIFFR-BMSBYHRTSA-N", "inchikey2D": "WMJMZLGVIAIFFR", "names": [ "(1s,2s,12s,14r,16s,18s,21r)-2,6,6,11,14,16-hexamethyl-7,17,19-trioxahexacyclo[12.6.1.1¹,¹⁶.0²,¹².0⁵,¹⁰.0¹⁸,²¹]docosa-4,10-diene-8,15,20,22-tetrone", "Chrysogenolide G" ], "molecular_formula": "C25H28O7", "smiles": "CC1=C2CC(=O)OC(C)(C)C2=CC[C@@]2(C)[C@H]1C[C@@]1(C)C(=O)[C@]3(C)O[C@H]4OC(=O)[C@@]2(C3=O)[C@H]41", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0198113", "npaid": "NPA022474" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "RGQOTIXSCBSMSR-UHRNAULPSA-N": { "inchikey": "RGQOTIXSCBSMSR-UHRNAULPSA-N", "inchikey2D": "RGQOTIXSCBSMSR", "names": [ "(1r,2r,10s,13r,15r,18r,19s,21s)-7,7,13,18,21-pentamethyl-6,11,14,16-tetraoxaspiro[hexacyclo[16.3.1.0³,⁸.0¹⁰,²¹.0¹²,²⁰.0¹⁵,¹⁹]docosane-2,2'-oxirane]-3,8,12(20)-triene-5,17-dione", "Chrysogenolide E" ], "molecular_formula": "C24H26O7", "smiles": "C[C@H]1O[C@@H]2OC(=O)[C@]3(C)C[C@@H]4[C@@]5(C)C(=C1O[C@H]5C=C1C(=CC(=O)OC1(C)C)[C@@]41CO1)[C@H]23", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0025193", "npaid": "NPA022472" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "HHLNXXASUKFCCX-UHFFFAOYSA-N": { "inchikey": "HHLNXXASUKFCCX-UHFFFAOYSA-N", "inchikey2D": "HHLNXXASUKFCCX", "names": [ "11-hydroxy-14-(1h-imidazol-4-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7-triene-12,15-dione" ], "molecular_formula": "C23H25N5O4", "smiles": "C=CC(C)(C)C12CC(O)C(=O)N3C(=Cc4c[nH]cn4)C(=O)NC31N(OC)c1ccccc12", "species": [ "[query-hint] Penicillium chrysogenum", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0182054" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "CDXVBNMKICCDER-PKIOSQTMSA-N": { "inchikey": "CDXVBNMKICCDER-PKIOSQTMSA-N", "inchikey2D": "CDXVBNMKICCDER", "names": [ "(1s,2s,3s,7r,8r,10s,11e)-7-[(2e,4e)-hexa-2,4-dienoyl]-3,6,10-trihydroxy-11-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-3,5,8,10-tetramethyltricyclo[6.2.2.0²,⁷]dodec-5-ene-4,9,12-trione" ], "molecular_formula": "C28H32O8", "smiles": "C/C=C/C=C/C(=O)[C@]12C(O)=C(C)C(=O)[C@@](C)(O)[C@H]1[C@H]1/C(=C(O)/C=C/C=C/C)C(=O)[C@]2(C)C(=O)[C@@]1(C)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0048371" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "AYBJCDJOJFEQJW-NRMKKVEVSA-N": { "inchikey": "AYBJCDJOJFEQJW-NRMKKVEVSA-N", "inchikey2D": "AYBJCDJOJFEQJW", "names": [ "(3r,4s)-8-{[(2r,3s)-5,6-dihydroxy-2,3,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl]oxy}-6-hydroxy-3,4,5-trimethyl-3,4-dihydro-2-benzopyran-1-one", "Penicitol B" ], "molecular_formula": "C23H26O7", "smiles": "Cc1c(O)c(O)c(Oc2cc(O)c(C)c3c2C(=O)O[C@H](C)[C@H]3C)c2c1[C@H](C)[C@@H](C)O2", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0254996", "npaid": "NPA004977" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "UEKMRJMHABAHOC-YTXTXJHMSA-N": { "inchikey": "UEKMRJMHABAHOC-YTXTXJHMSA-N", "inchikey2D": "UEKMRJMHABAHOC", "names": [ "2-[(2e,4e)-hexa-2,4-dienoyl]-5-hydroxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione" ], "molecular_formula": "C14H14O4", "smiles": "C/C=C/C=C/C(=O)C1=C(C)C(=O)C(O)=C(C)C1=O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0026594" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "QAGOKKIRIONYAD-PGICJIBASA-N": { "inchikey": "QAGOKKIRIONYAD-PGICJIBASA-N", "inchikey2D": "QAGOKKIRIONYAD", "names": [ "(4r,7r)-4-[(2s)-butan-2-yl]-6-hydroxy-7-isopropyl-4,12-dimethoxy-15-oxa-2,5,8-triazatricyclo[8.5.0.0³,⁸]pentadeca-1(10),2,5,11,13-pentaen-9-one" ], "molecular_formula": "C20H27N3O5", "smiles": "CC[C@H](C)[C@]1(OC)N=C(O)[C@@H](C(C)C)n2c1nc1c(c2=O)C=C(OC)C=CO1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0232118" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "WVVJWXDENDJFEC-UHFFFAOYSA-N": { "inchikey": "WVVJWXDENDJFEC-UHFFFAOYSA-N", "inchikey2D": "WVVJWXDENDJFEC", "names": [ "3-{[7-hydroxy-4-(1-hydroxyhexa-2,4-dien-1-ylidene)-3,6,7a-trimethyl-2,5-dioxo-3ah-1-benzofuran-3-yl]-c-hydroxycarbonimidoyl}prop-2-enoic acid" ], "molecular_formula": "C21H23NO8", "smiles": "CC=CC=CC(O)=C1C(=O)C(C)=C(O)C2(C)OC(=O)C(C)(N=C(O)C=CC(=O)O)C12", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0065258" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "HGTQKQGUQIZRAJ-XISQYIGNSA-N": { "inchikey": "HGTQKQGUQIZRAJ-XISQYIGNSA-N", "inchikey2D": "HGTQKQGUQIZRAJ", "names": [ "(3s,6s,9r,12r,19s)-3-benzyl-19-[(2s)-butan-2-yl]-5,8,11,14,17-pentahydroxy-6-methyl-9,12-bis(2-methylpropyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one" ], "molecular_formula": "C33H51N5O7", "smiles": "CC[C@H](C)[C@@H]1CC(O)=NCC(O)=N[C@H](CC(C)C)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc2ccccc2)C(=O)O1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0255298" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "GSRGQKYQEBYBAG-NKKQVTBGSA-N": { "inchikey": "GSRGQKYQEBYBAG-NKKQVTBGSA-N", "inchikey2D": "GSRGQKYQEBYBAG", "names": [ "(1r,3s,4s,5z,7r)-3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-5-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione", "Sorbicatechol A" ], "molecular_formula": "C23H26O6", "smiles": "C/C=C/C=C/C(O)=C1/C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1C[C@@H]2c1ccc(O)c(OC)c1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0247779", "npaid": "NPA004243" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "ATWGXAMVMZHCKK-JWRYVHENSA-N": { "inchikey": "ATWGXAMVMZHCKK-JWRYVHENSA-N", "inchikey2D": "ATWGXAMVMZHCKK", "names": [ "(4s,6s)-4-hydroxy-6-[(10r)-10-hydroxy-5,7-dimethylundecyl]oxan-2-one" ], "molecular_formula": "C18H34O4", "smiles": "CC(CCCC[C@H]1C[C@H](O)CC(=O)O1)CC(C)CC[C@@H](C)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0186145" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "SPCJQQBYWVGMQG-UHFFFAOYSA-N": { "inchikey": "SPCJQQBYWVGMQG-UHFFFAOYSA-N", "inchikey2D": "SPCJQQBYWVGMQG", "names": [ "diorcinol" ], "molecular_formula": "C14H14O3", "smiles": "Cc1cc(O)cc(Oc2cc(C)cc(O)c2)c1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0197760" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "GXPQEDBRIAXLLL-WONBWXIOSA-N": { "inchikey": "GXPQEDBRIAXLLL-WONBWXIOSA-N", "inchikey2D": "GXPQEDBRIAXLLL", "names": [ "(7s,9r)-12-bromo-6-hydroxy-4-(3h-imidazol-4-ylmethyl)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one", "Bromoroquefortine D" ], "molecular_formula": "C22H24BrN5O2", "smiles": "C=CC(C)(C)[C@@]12C[C@H]3C(O)=NC(Cc4cnc[nH]4)C(=O)N3C1Nc1ccc(Br)cc12", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0156591", "npaid": "NPA010932" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "AJSIPKNZSKQGBQ-UHFFFAOYSA-N": { "inchikey": "AJSIPKNZSKQGBQ-UHFFFAOYSA-N", "inchikey2D": "AJSIPKNZSKQGBQ", "names": [ "2,6,6,14,20-pentamethyl-7,16,18,21,24-pentaoxaspiro[heptacyclo[12.8.1.1³,¹⁹.0¹,¹⁹.0²,¹².0⁵,¹⁰.0¹⁷,²³]tetracosane-11,2'-oxirane]-4,9-diene-8,15,22-trione" ], "molecular_formula": "C25H26O9", "smiles": "CC1OC(=O)C23C4C5OC(=O)C4(C)CC4C6(CO6)C6=CC(=O)OC(C)(C)C6=CC(OC12O5)C43C", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0179920" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "HGGDUZQCHPXQPL-DICCTZAXSA-N": { "inchikey": "HGGDUZQCHPXQPL-DICCTZAXSA-N", "inchikey2D": "HGGDUZQCHPXQPL", "names": [ "(1r,3ar,5r,5ar,7s,9ar,9br,11ar)-1-[(2r,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-5,7-diol" ], "molecular_formula": "C28H46O2", "smiles": "CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0251767" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "AYBJCDJOJFEQJW-UHFFFAOYSA-N": { "inchikey": "AYBJCDJOJFEQJW-UHFFFAOYSA-N", "inchikey2D": "AYBJCDJOJFEQJW", "names": [ "8-[(5,6-dihydroxy-2,3,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]-6-hydroxy-3,4,5-trimethyl-3,4-dihydro-2-benzopyran-1-one" ], "molecular_formula": "C23H26O7", "smiles": "Cc1c(O)c(O)c(Oc2cc(O)c(C)c3c2C(=O)OC(C)C3C)c2c1C(C)C(C)O2", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0185084" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "DOYOPBSXEIZLRE-UHFFFAOYSA-N": { "inchikey": "DOYOPBSXEIZLRE-UHFFFAOYSA-N", "inchikey2D": "DOYOPBSXEIZLRE", "names": [ "pyrrole-3-carboxylic acid" ], "molecular_formula": "C5H5NO2", "smiles": "O=C(O)c1cc[nH]c1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0176588" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "NGHVIOIJCVXTGV-ALEPSDHESA-N": { "inchikey": "NGHVIOIJCVXTGV-ALEPSDHESA-N", "inchikey2D": "NGHVIOIJCVXTGV", "names": [ "6-aminopenicillanic acid", "penin" ], "molecular_formula": "C8H12N2O3S", "smiles": "CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0247465", "npaid": "NPA016008" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "IJMKCGGRBBSJIP-UHFFFAOYSA-N": { "inchikey": "IJMKCGGRBBSJIP-UHFFFAOYSA-N", "inchikey2D": "IJMKCGGRBBSJIP", "names": [ "2-[(2-{[1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]amino}-1-hydroxypropylidene)amino]benzoic acid" ], "molecular_formula": "C15H19N3O6", "smiles": "CC(NC(CCC(=N)O)C(=O)O)C(O)=Nc1ccccc1C(=O)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0185199" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "QZGXXZPRJHSVTD-QKVFXAPYSA-N": { "inchikey": "QZGXXZPRJHSVTD-QKVFXAPYSA-N", "inchikey2D": "QZGXXZPRJHSVTD", "names": [ "(1s,17s)-3,9-dihydroxy-7-methoxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6(11),7,9,14-hexaene-5,12-dione", "8-O-methylaverufin" ], "molecular_formula": "C21H18O7", "smiles": "COc1cc(O)cc2c1C(=O)c1c(cc3c(c1O)[C@@H]1CCC[C@](C)(O3)O1)C2=O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0118858", "npaid": "NPA001275" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "FBHQVVAZJLEQBG-NVZCPQDISA-N": { "inchikey": "FBHQVVAZJLEQBG-NVZCPQDISA-N", "inchikey2D": "FBHQVVAZJLEQBG", "names": [ "(2e)-3-{[(3s,3ar,7as)-4-[(4e)-hex-4-enoyl]-5,7-dihydroxy-3,6,7a-trimethyl-2-oxo-3ah-1-benzofuran-3-yl]-c-hydroxycarbonimidoyl}prop-2-enoic acid", "Sorbicillactone B" ], "molecular_formula": "C21H25NO8", "smiles": "C/C=C/CCC(=O)C1=C(O)C(C)=C(O)[C@@]2(C)OC(=O)[C@@](C)(N=C(O)/C=C/C(=O)O)[C@@H]12", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0128479", "npaid": "NPA005973" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "OGCJZGBAJYYAKH-XJSWZFTDSA-N": { "inchikey": "OGCJZGBAJYYAKH-XJSWZFTDSA-N", "inchikey2D": "OGCJZGBAJYYAKH", "names": [ "(3r,6s,9s,12s,21as)-9-benzyl-12-[(2s)-hexan-2-yl]-1,4,7,14-tetrahydroxy-6-methyl-3-(2-methylpropyl)-3h,6h,9h,12h,13h,16h,19h,20h,21h,21ah-pyrrolo[2,1-l]1-oxa-4,7,10,13,16-pentaazacyclononadecane-10,17-dione" ], "molecular_formula": "C34H51N5O7", "smiles": "CCCC[C@H](C)[C@@H]1CC(O)=NCC(=O)N2CCC[C@H]2C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc2ccccc2)C(=O)O1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0063753" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "XONZEOKWFDBLFK-DRRSQLPWSA-N": { "inchikey": "XONZEOKWFDBLFK-DRRSQLPWSA-N", "inchikey2D": "XONZEOKWFDBLFK", "names": [ "Chrysogenester", "methyl (4e,8e)-10-(2,5-dihydroxy-4-methylphenyl)-4,8-dimethyldeca-4,8-dienoate" ], "molecular_formula": "C20H28O4", "smiles": "COC(=O)CC/C(C)=C/CC/C(C)=C/Cc1cc(O)c(C)cc1O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0060283", "npaid": "NPA022557" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "OYVREVFYRWCTER-GXMVIZQESA-N": { "inchikey": "OYVREVFYRWCTER-GXMVIZQESA-N", "inchikey2D": "OYVREVFYRWCTER", "names": [ "(1r,3s,4s,5e,7s)-7-ethoxy-3-hydroxy-5-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione" ], "molecular_formula": "C18H24O5", "smiles": "C/C=C/C=C/C(O)=C1\\C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1C[C@@H]2OCC", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0053889" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "SPWSUFUPTSJWNG-UHFFFAOYSA-N": { "inchikey": "SPWSUFUPTSJWNG-UHFFFAOYSA-N", "inchikey2D": "SPWSUFUPTSJWNG", "names": [ "6-hydroxy-4-(1h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one" ], "molecular_formula": "C22H23N5O2", "smiles": "C=CC(C)(C)C12CC3C(O)=NC(=Cc4c[nH]cn4)C(=O)N3C1Nc1ccccc12", "species": [ "[query-hint] Penicillium chrysogenum", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0133410" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "AVSVGIXGBAHHHO-UHFFFAOYSA-N": { "inchikey": "AVSVGIXGBAHHHO-UHFFFAOYSA-N", "inchikey2D": "AVSVGIXGBAHHHO", "names": [ "methyl 11-hydroxy-2,6,6,11,14,19-hexamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.0²,¹².0⁵,¹⁰.0¹⁷,²¹]henicosa-4,9-diene-1-carboxylate" ], "molecular_formula": "C26H32O9", "smiles": "COC(=O)C12C(=O)C(C)OC3OC(=O)C(C)(CC4C(C)(O)C5=CC(=O)OC(C)(C)C5=CCC41C)C32", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0054469" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "GZCGUPFRVQAUEE-KCDKBNATSA-N": { "inchikey": "GZCGUPFRVQAUEE-KCDKBNATSA-N", "inchikey2D": "GZCGUPFRVQAUEE", "names": [ "aldehydo-d-galactose" ], "molecular_formula": "C6H12O6", "smiles": "O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0128031" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "JPYUYFWFAUFFIX-ZVECCUNCSA-N": { "inchikey": "JPYUYFWFAUFFIX-ZVECCUNCSA-N", "inchikey2D": "JPYUYFWFAUFFIX", "names": [ "(3s,6s,9r,12r,19s)-3-benzyl-19-[(2s)-hexan-2-yl]-5,8,11,14,17-pentahydroxy-6-methyl-9,12-bis(2-methylpropyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one" ], "molecular_formula": "C35H55N5O7", "smiles": "CCCC[C@H](C)[C@@H]1CC(O)=NCC(O)=N[C@H](CC(C)C)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc2ccccc2)C(=O)O1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0264046" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "VXYHQHOVSPABTG-KJYRXAALSA-N": { "inchikey": "VXYHQHOVSPABTG-KJYRXAALSA-N", "inchikey2D": "VXYHQHOVSPABTG", "names": [ "(1r,2s,3as,3bs,4r,5s,5as,7s,9as,9bs,10s,11as)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-4,5,7,10-tetrahydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-2-yl acetate", "Penicisteroid A" ], "molecular_formula": "C30H50O6", "smiles": "CC(=O)O[C@H]1C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@]2(C)[C@H]1[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@H](O)[C@@H]3O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0273562", "npaid": "NPA009646" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "HTOGTGFTMLQGFO-UHFFFAOYSA-N": { "inchikey": "HTOGTGFTMLQGFO-UHFFFAOYSA-N", "inchikey2D": "HTOGTGFTMLQGFO", "names": [ "1-(2,4,5-trihydroxy-3,6-dimethylphenyl)hexa-2,4-dien-1-one" ], "molecular_formula": "C14H16O4", "smiles": "CC=CC=CC(=O)c1c(C)c(O)c(O)c(C)c1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0128429" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "LXNQOMDRURYRCV-UHFFFAOYSA-N": { "inchikey": "LXNQOMDRURYRCV-UHFFFAOYSA-N", "inchikey2D": "LXNQOMDRURYRCV", "names": [ "2-(2,4-dihydroxy-6-methylphenyl)-5,7-dihydroxychromen-4-one", "Penimethavone A" ], "molecular_formula": "C16H12O6", "smiles": "Cc1cc(O)cc(O)c1-c1cc(=O)c2c(O)cc(O)cc2o1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0250217", "npaid": "NPA004919" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "WMJMZLGVIAIFFR-UHFFFAOYSA-N": { "inchikey": "WMJMZLGVIAIFFR-UHFFFAOYSA-N", "inchikey2D": "WMJMZLGVIAIFFR", "names": [ "2,6,6,11,14,16-hexamethyl-7,17,19-trioxahexacyclo[12.6.1.1¹,¹⁶.0²,¹².0⁵,¹⁰.0¹⁸,²¹]docosa-4,10-diene-8,15,20,22-tetrone" ], "molecular_formula": "C25H28O7", "smiles": "CC1=C2CC(=O)OC(C)(C)C2=CCC2(C)C1CC1(C)C(=O)C3(C)OC4OC(=O)C2(C3=O)C41", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0270880" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "WVVJWXDENDJFEC-CVHNVBPNSA-N": { "inchikey": "WVVJWXDENDJFEC-CVHNVBPNSA-N", "inchikey2D": "WVVJWXDENDJFEC", "names": [ "(2e)-3-{[(3s,3ar,4z,7as)-7-hydroxy-4-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-3,6,7a-trimethyl-2,5-dioxo-3ah-1-benzofuran-3-yl]-c-hydroxycarbonimidoyl}prop-2-enoic acid" ], "molecular_formula": "C21H23NO8", "smiles": "C/C=C/C=C/C(O)=C1/C(=O)C(C)=C(O)[C@@]2(C)OC(=O)[C@@](C)(N=C(O)/C=C/C(=O)O)[C@@H]12", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0029047" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "PTYYVBPXCVLOAP-UHFFFAOYSA-N": { "inchikey": "PTYYVBPXCVLOAP-UHFFFAOYSA-N", "inchikey2D": "PTYYVBPXCVLOAP", "names": [ "2,5-dihydroxy-6-(methoxycarbonyl)-9-oxoxanthene-4-carboxylic acid" ], "molecular_formula": "C16H10O8", "smiles": "COC(=O)c1ccc2c(=O)c3cc(O)cc(C(=O)O)c3oc2c1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0005452" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "PDFXYZAJMMZIAG-CQSZACIVSA-N": { "inchikey": "PDFXYZAJMMZIAG-CQSZACIVSA-N", "inchikey2D": "PDFXYZAJMMZIAG", "names": [ "3-hydroxy-5-methylphenyl 2-[(2s)-4-hydroxy-2-methyl-5-oxofuran-2-yl]acetate" ], "molecular_formula": "C14H14O6", "smiles": "Cc1cc(O)cc(OC(=O)C[C@@]2(C)C=C(O)C(=O)O2)c1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0273085" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "UTPNSTPDOKWLNK-UHFFFAOYSA-N": { "inchikey": "UTPNSTPDOKWLNK-UHFFFAOYSA-N", "inchikey2D": "UTPNSTPDOKWLNK", "names": [ "methyl 3-chloro-2-[2,4-dimethoxy-6-(methoxycarbonyl)phenoxy]-6-hydroxy-4-methylbenzoate" ], "molecular_formula": "C19H19ClO8", "smiles": "COC(=O)c1cc(OC)cc(OC)c1Oc1c(Cl)c(C)cc(O)c1C(=O)OC", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0016939" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "JGSARLDLIJGVTE-MBNYWOFBSA-N": { "inchikey": "JGSARLDLIJGVTE-MBNYWOFBSA-N", "inchikey2D": "JGSARLDLIJGVTE", "names": [ "(2s,5r,6r)-6-[(1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" ], "molecular_formula": "C16H18N2O4S", "smiles": "CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0026006" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "ZWCFJIDEAVJSER-UHFFFAOYSA-N": { "inchikey": "ZWCFJIDEAVJSER-UHFFFAOYSA-N", "inchikey2D": "ZWCFJIDEAVJSER", "names": [ "3-{[7-hydroxy-4-(1-hydroxyhex-4-en-1-ylidene)-3,6,7a-trimethyl-2,5-dioxo-3ah-1-benzofuran-3-yl]-c-hydroxycarbonimidoyl}prop-2-enoic acid" ], "molecular_formula": "C21H25NO8", "smiles": "CC=CCCC(O)=C1C(=O)C(C)=C(O)C2(C)OC(=O)C(C)(N=C(O)C=CC(=O)O)C12", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0008031" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "LHHWHAYTYXLWIC-JMTRSHONSA-N": { "inchikey": "LHHWHAYTYXLWIC-JMTRSHONSA-N", "inchikey2D": "LHHWHAYTYXLWIC", "names": [ "(1'r,2s,2'r,12's,14's,17's,19's,21's)-21'-hydroxy-2',6',6',14',19'-pentamethyl-7',16',18'-trioxaspiro[oxirane-2,11'-pentacyclo[12.6.1.0²,¹².0⁵,¹⁰.0¹⁷,²¹]henicosane]-4',9'-diene-3',8',15',20'-tetrone", "Chrysogenolide F" ], "molecular_formula": "C24H26O9", "smiles": "C[C@@H]1O[C@H]2OC(=O)[C@@]3(C)C[C@@H]4[C@@]5(CO5)C5=CC(=O)OC(C)(C)C5=CC(=O)[C@@]4(C)[C@@H](C1=O)[C@@]23O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0262378", "npaid": "NPA022473" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "FKBMSQKCOIWFCS-UHFFFAOYSA-N": { "inchikey": "FKBMSQKCOIWFCS-UHFFFAOYSA-N", "inchikey2D": "FKBMSQKCOIWFCS", "names": [ "methyl 2-[4-hydroxy-3-(3-methylbutyl)phenyl]acetate" ], "molecular_formula": "C14H20O3", "smiles": "COC(=O)Cc1ccc(O)c(CCC(C)C)c1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0028180" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "KXANFIUZDUWZJY-UHFFFAOYSA-N": { "inchikey": "KXANFIUZDUWZJY-UHFFFAOYSA-N", "inchikey2D": "KXANFIUZDUWZJY", "names": [ "3-{9,10-dihydroxy-7-methoxy-3-methyl-1-oxobenzo[g]isochromen-8-yl}-5-hydroxy-2-methoxy-7-methylnaphthalene-1,4-dione" ], "molecular_formula": "C27H20O9", "smiles": "COC1=C(c2c(OC)cc3cc4cc(C)oc(=O)c4c(O)c3c2O)C(=O)c2c(O)cc(C)cc2C1=O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0016102" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "BRXZPQCUSKJYDB-JTQLQIEISA-N": { "inchikey": "BRXZPQCUSKJYDB-JTQLQIEISA-N", "inchikey2D": "BRXZPQCUSKJYDB", "names": [ "(1s)-6-hydroxy-1-methoxy-8-methyl-1h,2h,3h-cyclopenta[c]isochromen-5-one", "Penicitol C" ], "molecular_formula": "C14H14O4", "smiles": "CO[C@H]1CCc2oc(=O)c3c(O)cc(C)cc3c21", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0000678", "npaid": "NPA012709" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "JOYLASSUVMVSGN-UHFFFAOYSA-N": { "inchikey": "JOYLASSUVMVSGN-UHFFFAOYSA-N", "inchikey2D": "JOYLASSUVMVSGN", "names": [ "7-[(acetyloxy)methyl]-3-hydroxy-3-methyloct-6-enoic acid" ], "molecular_formula": "C12H20O5", "smiles": "CC(=O)OCC(C)=CCCC(C)(O)CC(=O)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0057663" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "AXAOTVYUULFFTE-FRJHFHMPSA-N": { "inchikey": "AXAOTVYUULFFTE-FRJHFHMPSA-N", "inchikey2D": "AXAOTVYUULFFTE", "names": [ "(2r)-2-hydroxy-n-[(2s,3r,4e,8e)-3-hydroxy-9-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentadeca-4,8-dien-2-yl]nonadecanimidic acid", "Chrysogeside E" ], "molecular_formula": "C41H77NO9", "smiles": "CCCCCCCCCCCCCCCCC[C@@H](O)C(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\\C)CCCCCC", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0007419", "npaid": "NPA010557" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "ASJDHPNJTXZGII-ZVMPSDJMSA-N": { "inchikey": "ASJDHPNJTXZGII-ZVMPSDJMSA-N", "inchikey2D": "ASJDHPNJTXZGII", "names": [ "(1r,2s,3as,3bs,7s,9ar,9bs,10s,11as)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-7,10-dihydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl acetate", "Penicisteroid B" ], "molecular_formula": "C30H48O4", "smiles": "CC(=O)O[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1[C@H](C)/C=C/[C@H](C)C(C)C", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0001881", "npaid": "NPA018360" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "AJSIPKNZSKQGBQ-QLEHVBHISA-N": { "inchikey": "AJSIPKNZSKQGBQ-QLEHVBHISA-N", "inchikey2D": "AJSIPKNZSKQGBQ", "names": [ "(1s,2s,3s,11r,12r,14r,17r,19s,20r,23r)-2,6,6,14,20-pentamethyl-7,16,18,21,24-pentaoxaspiro[heptacyclo[12.8.1.1³,¹⁹.0¹,¹⁹.0²,¹².0⁵,¹⁰.0¹⁷,²³]tetracosane-11,2'-oxirane]-4,9-diene-8,15,22-trione", "Chrysogenolide A" ], "molecular_formula": "C25H26O9", "smiles": "C[C@H]1OC(=O)[C@@]23[C@@H]4[C@H]5OC(=O)[C@]4(C)C[C@@H]4[C@]2(C)[C@H](C=C2C(=CC(=O)OC2(C)C)[C@@]42CO2)O[C@@]13O5", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0052546", "npaid": "NPA022468" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "LAUIOERDZDGCAE-UHFFFAOYSA-N": { "inchikey": "LAUIOERDZDGCAE-UHFFFAOYSA-N", "inchikey2D": "LAUIOERDZDGCAE", "names": [ "1-{3-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-2,4-dihydroxy-5-methylphenyl}ethanone", "Diclavatol" ], "molecular_formula": "C19H20O6", "smiles": "CC(=O)c1cc(C)c(O)c(Cc2c(O)c(C)cc(C(C)=O)c2O)c1O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0001076", "npaid": "NPA017388" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "SSNZBMSHTYMPDC-DDSPGNMTSA-N": { "inchikey": "SSNZBMSHTYMPDC-DDSPGNMTSA-N", "inchikey2D": "SSNZBMSHTYMPDC", "names": [ "(2r,3e)-2-hydroxy-n-[(2s,3r,4e,8e)-3-hydroxy-9-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptadeca-4,8-dien-2-yl]nonadec-3-enimidic acid", "Chrysogeside D" ], "molecular_formula": "C43H79NO9", "smiles": "CCCCCCCCCCCCCCC/C=C/[C@@H](O)C(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\\C)CCCCCCCC", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0012077", "npaid": "NPA003044" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "QIGJYVCQYDKYDW-MESDJYPDSA-N": { "inchikey": "QIGJYVCQYDKYDW-MESDJYPDSA-N", "inchikey2D": "QIGJYVCQYDKYDW", "names": [ "(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2r,3r,4s,5r,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxane-3,4,5-triol" ], "molecular_formula": "C12H22O11", "smiles": "OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0125099" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "CDXVBNMKICCDER-UHFFFAOYSA-N": { "inchikey": "CDXVBNMKICCDER-UHFFFAOYSA-N", "inchikey2D": "CDXVBNMKICCDER", "names": [ "7-(hexa-2,4-dienoyl)-3,6,10-trihydroxy-11-(1-hydroxyhexa-2,4-dien-1-ylidene)-3,5,8,10-tetramethyltricyclo[6.2.2.0²,⁷]dodec-5-ene-4,9,12-trione" ], "molecular_formula": "C28H32O8", "smiles": "CC=CC=CC(=O)C12C(O)=C(C)C(=O)C(C)(O)C1C1C(=C(O)C=CC=CC)C(=O)C2(C)C(=O)C1(C)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0005287" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "VKGZCEJTCKHMRL-UHFFFAOYSA-N": { "inchikey": "VKGZCEJTCKHMRL-UHFFFAOYSA-N", "inchikey2D": "VKGZCEJTCKHMRL", "names": [ "2-({9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}amino)butanedioic acid" ], "molecular_formula": "C14H17N5O8", "smiles": "O=C(O)CC(Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(=O)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0031850" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "FBHQVVAZJLEQBG-UHFFFAOYSA-N": { "inchikey": "FBHQVVAZJLEQBG-UHFFFAOYSA-N", "inchikey2D": "FBHQVVAZJLEQBG", "names": [ "3-{[4-(hex-4-enoyl)-5,7-dihydroxy-3,6,7a-trimethyl-2-oxo-3ah-1-benzofuran-3-yl]-c-hydroxycarbonimidoyl}prop-2-enoic acid" ], "molecular_formula": "C21H25NO8", "smiles": "CC=CCCC(=O)C1=C(O)C(C)=C(O)C2(C)OC(=O)C(C)(N=C(O)C=CC(=O)O)C12", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0027628" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "UMCGQJQCISUBIM-UHFFFAOYSA-N": { "inchikey": "UMCGQJQCISUBIM-UHFFFAOYSA-N", "inchikey2D": "UMCGQJQCISUBIM", "names": [ "12-bromo-6-hydroxy-4-[hydroxy(3h-imidazol-4-yl)methylidene]-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one" ], "molecular_formula": "C22H22BrN5O3", "smiles": "C=CC(C)(C)C12CC3C(O)=NC(=C(O)c4cnc[nH]4)C(=O)N3C1Nc1ccc(Br)cc12", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0091900" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "ARJXSLHALKAJPV-ZZIHQOKHSA-N": { "inchikey": "ARJXSLHALKAJPV-ZZIHQOKHSA-N", "inchikey2D": "ARJXSLHALKAJPV", "names": [ "(4as,8s,10s,10as,10br)-10-hydroxy-8-(hydroxymethyl)-4a,10b-dimethyl-2h,3h,8h,9h,10h,10ah-naphtho[2,1-b]pyran-1-one" ], "molecular_formula": "C16H22O4", "smiles": "C[C@]12C=CC3=C[C@@H](CO)C[C@H](O)[C@@H]3[C@@]1(C)C(=O)CCO2", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0225111" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "VVAYTQZCXQEHFX-UHFFFAOYSA-N": { "inchikey": "VVAYTQZCXQEHFX-UHFFFAOYSA-N", "inchikey2D": "VVAYTQZCXQEHFX", "names": [ "4-{[2-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl}phenol", "Chrysotriazole A" ], "molecular_formula": "C17H17N3O3", "smiles": "COc1ccc(-n2ncnc2Cc2ccc(O)cc2)c(OC)c1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0088549", "npaid": "NPA000977" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "SSIULBZZANASKU-UHFFFAOYSA-N": { "inchikey": "SSIULBZZANASKU-UHFFFAOYSA-N", "inchikey2D": "SSIULBZZANASKU", "names": [ "7-butoxy-3-hydroxy-5-(1-hydroxyhexa-2,4-dien-1-ylidene)-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione" ], "molecular_formula": "C20H28O5", "smiles": "CC=CC=CC(O)=C1C(=O)C2(C)C(=O)C(C)(O)C1CC2OCCCC", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0226645" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "QIMOHLBPZKFSBJ-NWLVNBMCSA-N": { "inchikey": "QIMOHLBPZKFSBJ-NWLVNBMCSA-N", "inchikey2D": "QIMOHLBPZKFSBJ", "names": [ "4-methoxy-5-methyl-2-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]phenol", "5-farnesyl-2-methyl-1-O-methylhydroquinone" ], "molecular_formula": "C23H34O2", "smiles": "COc1cc(C/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)c(O)cc1C", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0034244", "npaid": "NPA022556" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "LPLFVWKHFVLGEC-UHFFFAOYSA-N": { "inchikey": "LPLFVWKHFVLGEC-UHFFFAOYSA-N", "inchikey2D": "LPLFVWKHFVLGEC", "names": [ "12-bromo-6-hydroxy-4-(1h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one" ], "molecular_formula": "C22H22BrN5O2", "smiles": "C=CC(C)(C)C12CC3C(O)=NC(=Cc4c[nH]cn4)C(=O)N3C1Nc1ccc(Br)cc12", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0242436" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "IRTSNPJRIJTNNN-UHFFFAOYSA-N": { "inchikey": "IRTSNPJRIJTNNN-UHFFFAOYSA-N", "inchikey2D": "IRTSNPJRIJTNNN", "names": [ "methyl 4,8,9-trihydroxy-7-[5-hydroxy-2-(methoxycarbonyl)-2-(3-methyl-5-oxooxolan-2-yl)-4-oxo-3h-1-benzopyran-6-yl]-3-methyl-1-oxo-3,4-dihydro-2h-xanthene-4a-carboxylate" ], "molecular_formula": "C32H30O14", "smiles": "COC(=O)C1(C2OC(=O)CC2C)CC(=O)c2c(ccc(-c3ccc4c(c3O)C(O)=C3C(=O)CC(C)C(O)C3(C(=O)OC)O4)c2O)O1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0032911" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "DIFREUFYEBCDCG-IEXNBPCCSA-N": { "inchikey": "DIFREUFYEBCDCG-IEXNBPCCSA-N", "inchikey2D": "DIFREUFYEBCDCG", "names": [ "(3s,5r,7r,8s)-3-methoxy-3,7,8,10-tetramethyl-2,6-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-11-ol", "Penicitrinol D" ], "molecular_formula": "C16H22O4", "smiles": "CO[C@]1(C)C[C@H]2O[C@H](C)[C@@H](C)c3c(C)c(O)cc(c32)O1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0031383", "npaid": "NPA010279" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "GSRGQKYQEBYBAG-UHFFFAOYSA-N": { "inchikey": "GSRGQKYQEBYBAG-UHFFFAOYSA-N", "inchikey2D": "GSRGQKYQEBYBAG", "names": [ "3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-5-(1-hydroxyhexa-2,4-dien-1-ylidene)-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione" ], "molecular_formula": "C23H26O6", "smiles": "CC=CC=CC(O)=C1C(=O)C2(C)C(=O)C(C)(O)C1CC2c1ccc(O)c(OC)c1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0241574" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "IZCKAIWTJWFNEI-UHFFFAOYSA-N": { "inchikey": "IZCKAIWTJWFNEI-UHFFFAOYSA-N", "inchikey2D": "IZCKAIWTJWFNEI", "names": [ "2,4-dibromo-5-(2,4-dibromo-5-hydroxy-3-methylphenoxy)-3-methylphenol", "4,6,4’,6’-Tetrabromo-3,3’-dihydroxy-5,5’-dimethyldiphenyl ether" ], "molecular_formula": "C14H10Br4O3", "smiles": "Cc1c(Br)c(O)cc(Oc2cc(O)c(Br)c(C)c2Br)c1Br", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0004832", "npaid": "NPA017698" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "FNQPTDUMOGZQBY-UHFFFAOYSA-N": { "inchikey": "FNQPTDUMOGZQBY-UHFFFAOYSA-N", "inchikey2D": "FNQPTDUMOGZQBY", "names": [ "5-(1-hydroxybutyl)-6-(hydroxymethyl)pyridin-2-ol" ], "molecular_formula": "C10H15NO3", "smiles": "CCCC(O)c1ccc(O)nc1CO", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0044737" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "MPDYYYVKKXHAGJ-UHFFFAOYSA-N": { "inchikey": "MPDYYYVKKXHAGJ-UHFFFAOYSA-N", "inchikey2D": "MPDYYYVKKXHAGJ", "names": [ "2-hydroxy-n-(3-hydroxy-9-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetradeca-4,8-dien-2-yl)nonadec-3-enimidic acid" ], "molecular_formula": "C40H73NO9", "smiles": "CCCCCCCCCCCCCCCC=CC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=C(C)CCCCC", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0136100" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "MYTCOOYZKCVFJE-UHFFFAOYSA-N": { "inchikey": "MYTCOOYZKCVFJE-UHFFFAOYSA-N", "inchikey2D": "MYTCOOYZKCVFJE", "names": [ "1-hydroxy-3-(1h-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3h,3ah,4h,6ah,9h,10h,13h,15h,16h-cyclotrideca[d]isoindole-14,17-dione" ], "molecular_formula": "C32H38N2O3", "smiles": "CC1=CC(C)CC=CC2C=C(C)C(C)C3C(Cc4c[nH]c5ccccc45)N=C(O)C23C(=O)CCC(=O)C1", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0258331" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "RRSJLGLCJLRXGJ-UHFFFAOYSA-N": { "inchikey": "RRSJLGLCJLRXGJ-UHFFFAOYSA-N", "inchikey2D": "RRSJLGLCJLRXGJ", "names": [ "2-(2-oxopropanamido)benzenecarboximidic acid" ], "molecular_formula": "C10H10N2O3", "smiles": "CC(=O)C(=O)Nc1ccccc1C(=N)O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0271786" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "OYVREVFYRWCTER-INVCSQKGSA-N": { "inchikey": "OYVREVFYRWCTER-INVCSQKGSA-N", "inchikey2D": "OYVREVFYRWCTER", "names": [ "(1r,3r,4s,5z,7s)-7-ethoxy-3-hydroxy-5-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione" ], "molecular_formula": "C18H24O5", "smiles": "C/C=C/C=C/C(O)=C1/C(=O)[C@]2(C)C(=O)[C@](C)(O)[C@H]1C[C@@H]2OCC", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0024836" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "WBJTYJGWAMUJGK-UHFFFAOYSA-N": { "inchikey": "WBJTYJGWAMUJGK-UHFFFAOYSA-N", "inchikey2D": "WBJTYJGWAMUJGK", "names": [ "4-{5-[(4-hydroxyphenyl)methyl]-1,2,4-triazol-1-yl}-3-methoxyphenol", "Chrysotriazole B" ], "molecular_formula": "C16H15N3O3", "smiles": "COc1cc(O)ccc1-n1ncnc1Cc1ccc(O)cc1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0039445", "npaid": "NPA005797" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "LHHWHAYTYXLWIC-UHFFFAOYSA-N": { "inchikey": "LHHWHAYTYXLWIC-UHFFFAOYSA-N", "inchikey2D": "LHHWHAYTYXLWIC", "names": [ "21'-hydroxy-2',6',6',14',19'-pentamethyl-7',16',18'-trioxaspiro[oxirane-2,11'-pentacyclo[12.6.1.0²,¹².0⁵,¹⁰.0¹⁷,²¹]henicosane]-4',9'-diene-3',8',15',20'-tetrone" ], "molecular_formula": "C24H26O9", "smiles": "CC1OC2OC(=O)C3(C)CC4C5(CO5)C5=CC(=O)OC(C)(C)C5=CC(=O)C4(C)C(C1=O)C23O", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0020031" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "RMLHKIIIPXZPPX-XTOKZYMASA-N": { "inchikey": "RMLHKIIIPXZPPX-XTOKZYMASA-N", "inchikey2D": "RMLHKIIIPXZPPX", "names": [ "(6r,7r)-7-[(5-carboxy-1,5-dihydroxypentylidene)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid", "16-Hydroxyadipoyl-7-ADCA" ], "molecular_formula": "C14H18N2O7S", "smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)CCCC(O)C(=O)O)[C@H]2SC1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0256597", "npaid": "NPA018771" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "KUIUVKRUEXQWDJ-ZZIHQOKHSA-N": { "inchikey": "KUIUVKRUEXQWDJ-ZZIHQOKHSA-N", "inchikey2D": "KUIUVKRUEXQWDJ", "names": [ "(4as,8s,10s,10as,10br)-10-hydroxy-8-(hydroxymethyl)-4a,10b-dimethyl-8h,9h,10h,10ah-cyclohexa[f]chromen-1-one" ], "molecular_formula": "C16H20O4", "smiles": "C[C@]12C=CC3=C[C@@H](CO)C[C@H](O)[C@@H]3[C@@]1(C)C(=O)C=CO2", "species": [ "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0107227" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "OYVREVFYRWCTER-CWKZIXJYSA-N": { "inchikey": "OYVREVFYRWCTER-CWKZIXJYSA-N", "inchikey2D": "OYVREVFYRWCTER", "names": [ "(1r,3s,4s,5e)-7-ethoxy-3-hydroxy-5-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione", "Rezishanone C" ], "molecular_formula": "C18H24O5", "smiles": "C/C=C/C=C/C(O)=C1\\C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1CC2OCC", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium chrysogenum" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0042810", "npaid": "NPA013689" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium chrysogenum==Penicillium chrysogenum" ] }, "VOUGEZYPVGAPBB-XQRVVYSFSA-N": { "inchikey": "VOUGEZYPVGAPBB-XQRVVYSFSA-N", "inchikey2D": "VOUGEZYPVGAPBB", "names": [ "Penicillic acid", "penicillic acid" ], "molecular_formula": "C8H10O4", "smiles": "C=C(C)C(=O)/C(=C/C(=O)O)OC", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0037945", "npaid": "NPA005768" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "SPWSUFUPTSJWNG-SXGWCWSVSA-N": { "inchikey": "SPWSUFUPTSJWNG-SXGWCWSVSA-N", "inchikey2D": "SPWSUFUPTSJWNG", "names": [ "(4z)-6-hydroxy-4-(3h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one" ], "molecular_formula": "C22H23N5O2", "smiles": "C=CC(C)(C)C12CC3C(O)=N/C(=C\\c4cnc[nH]4)C(=O)N3C1Nc1ccccc12", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0240578" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "HPNSFSBZBAHARI-RUDMXATFSA-N": { "inchikey": "HPNSFSBZBAHARI-RUDMXATFSA-N", "inchikey2D": "HPNSFSBZBAHARI", "names": [ "Mycophenolic acid", "mycophenolic acid" ], "molecular_formula": "C17H20O6", "smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", "species": [ "[npatlas-query] Aspergillus", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0068811", "npaid": "NPA015757" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Aspergillus", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "IQVNREJWRXOHEO-HBCLNWRISA-N": { "inchikey": "IQVNREJWRXOHEO-HBCLNWRISA-N", "inchikey2D": "IQVNREJWRXOHEO", "names": [ "(1s,4r,7s,9r)-6-hydroxy-4-(3h-imidazol-4-ylmethyl)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one" ], "molecular_formula": "C22H25N5O2", "smiles": "C=CC(C)(C)[C@@]12C[C@H]3C(O)=N[C@H](Cc4cnc[nH]4)C(=O)N3[C@@H]1Nc1ccccc12", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0059851" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "YIPZSYQSAKRRRI-RECIUYGFSA-N": { "inchikey": "YIPZSYQSAKRRRI-RECIUYGFSA-N", "inchikey2D": "YIPZSYQSAKRRRI", "names": [ "(1s,2r,3s,7s,9r,10s,13r,14s,17r)-4,4,7,10,13,14-hexamethylpentacyclo[10.7.0.0²,¹⁰.0³,⁷.0¹³,¹⁷]nonadec-11-en-9-ol", "Peniroquesine B" ], "molecular_formula": "C25H40O", "smiles": "C[C@H]1CC[C@@H]2CC[C@@H]3C(=C[C@@]4(C)[C@H](O)C[C@]5(C)CCC(C)(C)[C@@H]5[C@@H]34)[C@]12C", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0129845", "npaid": "NPA023966" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "OXZGFGFICRZIFY-DURCKFPESA-N": { "inchikey": "OXZGFGFICRZIFY-DURCKFPESA-N", "inchikey2D": "OXZGFGFICRZIFY", "names": [ "(1ar,2r,3r,3ar,5s,7bs)-2-hydroxy-3,3a-dimethyl-5-(prop-1-en-2-yl)-1ah,2h,3h,4h,5h,7bh-naphtho[1,2-b]oxiren-6-one" ], "molecular_formula": "C15H20O3", "smiles": "C=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@@H]1O[C@@H]1[C@H](O)[C@@H]2C", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0218902" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "FJZBAGIMAUDSAO-MZPVMMEZSA-N": { "inchikey": "FJZBAGIMAUDSAO-MZPVMMEZSA-N", "inchikey2D": "FJZBAGIMAUDSAO", "names": [ "(1r,2s,8ar)-1,8a-dimethyl-6-oxo-7-(propan-2-ylidene)-2,8-dihydro-1h-naphthalen-2-yl acetate", "(3S)-3-acetoxyeremophil-1(2),7(11),9(10)-trien-8-one" ], "molecular_formula": "C17H22O3", "smiles": "CC(=O)O[C@H]1C=CC2=CC(=O)C(=C(C)C)C[C@]2(C)[C@H]1C", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0114523", "npaid": "NPA007034" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "ASDRLEIRFUEAND-UHFFFAOYSA-N": { "inchikey": "ASDRLEIRFUEAND-UHFFFAOYSA-N", "inchikey2D": "ASDRLEIRFUEAND", "names": [ "2-(acetyloxy)-3,3',3a-trimethyl-6-oxo-2,3,4,7b-tetrahydro-1ah-spiro[naphtho[1,2-b]oxirene-5,2'-oxirane]-3'-carboximidic acid" ], "molecular_formula": "C17H21NO6", "smiles": "CC(=O)OC1C2OC2C2=CC(=O)C3(CC2(C)C1C)OC3(C)C(=N)O", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0129295" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "SLTLKLCDQWGISZ-BPGGGUHBSA-N": { "inchikey": "SLTLKLCDQWGISZ-BPGGGUHBSA-N", "inchikey2D": "SLTLKLCDQWGISZ", "names": [ "(1s,4r,5r,7r)-4,11,11-trimethyl-10-methylidenetricyclo[5.3.1.0¹,⁵]undecane", "Gamma-Patchoulene" ], "molecular_formula": "C15H24", "smiles": "C=C1CC[C@@H]2C[C@@H]3[C@H](C)CC[C@@]13C2(C)C", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0237651", "npaid": "NPA016911" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "WHXUZXDWQKUIJL-CFVMTHIKSA-N": { "inchikey": "WHXUZXDWQKUIJL-CFVMTHIKSA-N", "inchikey2D": "WHXUZXDWQKUIJL", "names": [ "(2as,4ar,8as)-2,2,4a,8-tetramethyl-1h,2ah,3h,4h,5h,6h-cyclobuta[d]indene", "Alpha-Panasinsen" ], "molecular_formula": "C15H24", "smiles": "CC1=CCC[C@]2(C)CC[C@H]3C(C)(C)C[C@]132", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0085717", "npaid": "NPA001601" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "GJSSYQDXZLZOLR-QSZCKVCBSA-N": { "inchikey": "GJSSYQDXZLZOLR-QSZCKVCBSA-N", "inchikey2D": "GJSSYQDXZLZOLR", "names": [ "(2r,3r,4r,7r)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-yl 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"INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "FJZBAGIMAUDSAO-UHFFFAOYSA-N": { "inchikey": "FJZBAGIMAUDSAO-UHFFFAOYSA-N", "inchikey2D": "FJZBAGIMAUDSAO", "names": [ "1,8a-dimethyl-6-oxo-7-(propan-2-ylidene)-2,8-dihydro-1h-naphthalen-2-yl acetate" ], "molecular_formula": "C17H22O3", "smiles": "CC(=O)OC1C=CC2=CC(=O)C(=C(C)C)CC2(C)C1C", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0083013" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "GJSSYQDXZLZOLR-QCNBCJRGSA-N": { "inchikey": "GJSSYQDXZLZOLR-QCNBCJRGSA-N", "inchikey2D": "GJSSYQDXZLZOLR", "names": [ "(2r,3r,4r,7s)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-yl acetate" ], "molecular_formula": "C18H22N2O2", "smiles": "CC(=O)O[C@@H]1[C@H](C)CN(C)[C@H]2Cc3c[nH]c4cccc(c34)[C@H]21", "species": [ "[query-hint] Penicillium roqueforti" ], 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"(1ar,2s,3s,3's,3as,5s,7bs)-3'-(hydroxymethyl)-3,3',3a-trimethyl-6-oxo-2,3,4,7b-tetrahydro-1ah-spiro[naphtho[1,2-b]oxirene-5,2'-oxiran]-2-yl acetate" ], "molecular_formula": "C17H22O6", "smiles": "CC(=O)O[C@H]1[C@@H](C)[C@]2(C)C[C@@]3(O[C@@]3(C)CO)C(=O)C=C2[C@@H]2O[C@@H]21", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0062138" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "GJSSYQDXZLZOLR-UHFFFAOYSA-N": { "inchikey": "GJSSYQDXZLZOLR-UHFFFAOYSA-N", "inchikey2D": "GJSSYQDXZLZOLR", "names": [ "4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-yl acetate" ], "molecular_formula": "C18H22N2O2", "smiles": "CC(=O)OC1C(C)CN(C)C2Cc3c[nH]c4cccc(c34)C12", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0201507" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "YIPZSYQSAKRRRI-UHFFFAOYSA-N": { "inchikey": "YIPZSYQSAKRRRI-UHFFFAOYSA-N", "inchikey2D": "YIPZSYQSAKRRRI", "names": [ "4,4,7,10,13,14-hexamethylpentacyclo[10.7.0.0²,¹⁰.0³,⁷.0¹³,¹⁷]nonadec-11-en-9-ol" ], "molecular_formula": "C25H40O", "smiles": "CC1CCC2CCC3C(=CC4(C)C(O)CC5(C)CCC(C)(C)C5C34)C12C", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0193267" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "SGIZPBSMKAKPSO-XROMWOPNSA-N": { "inchikey": "SGIZPBSMKAKPSO-XROMWOPNSA-N", "inchikey2D": "SGIZPBSMKAKPSO", "names": [ "(1'r,8s,8'r,10's)-4,4,11',11'-tetramethyl-3',14'-diazaspiro[[1,4]dioxepino[2,3-g]indole-8,12'-tetracyclo[6.5.2.0¹,¹⁰.0³,⁸]pentadecan]-14'-ene-9,15'-diol" ], "molecular_formula": "C27H33N3O4", "smiles": "CC1(C)C=COc2c(ccc3c2N=C(O)[C@]32C[C@]34CN5CCCC[C@@]5(C[C@H]3C2(C)C)C(O)=N4)O1", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0109044" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "NCEYLDMAYOKQNV-UHFFFAOYSA-N": { "inchikey": "NCEYLDMAYOKQNV-UHFFFAOYSA-N", "inchikey2D": "NCEYLDMAYOKQNV", "names": [ "7-(hydroxymethyl)-4,4,10,13,14-pentamethylpentacyclo[10.7.0.0²,¹⁰.0³,⁷.0¹³,¹⁷]nonadec-11-en-9-ol" ], "molecular_formula": "C25H40O2", "smiles": "CC1CCC2CCC3C(=CC4(C)C(O)CC5(CO)CCC(C)(C)C5C34)C12C", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0192359" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "MEDWEEBWLKOHES-DWJNZRAMSA-N": { "inchikey": "MEDWEEBWLKOHES-DWJNZRAMSA-N", "inchikey2D": "MEDWEEBWLKOHES", "names": [ "(1's,3r,8's,10's)-7,7,11',11'-tetramethyl-3',14'-diazaspiro[chromeno[5,6-b]pyrrole-3,12'-tetracyclo[6.5.2.0¹,¹⁰.0³,⁸]pentadecan]-14'-ene-2,15'-diol" ], "molecular_formula": "C27H33N3O3", "smiles": "CC1(C)C=Cc2c(ccc3c2N=C(O)[C@@]32C[C@@]34CN5CCCC[C@]5(C[C@H]3C2(C)C)C(O)=N4)O1", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0196370" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "GNZBYFOSVVLSLN-UHFFFAOYSA-N": { "inchikey": "GNZBYFOSVVLSLN-UHFFFAOYSA-N", "inchikey2D": "GNZBYFOSVVLSLN", "names": [ "8-hydroxy-1,5,15-trimethyl-4,7,12-trioxapentacyclo[8.5.0.0³,⁵.0³,⁸.0¹¹,¹³]pentadec-9-en-14-yl acetate" ], "molecular_formula": "C17H22O6", "smiles": "CC(=O)OC1C2OC2C2=CC3(O)OCC4(C)OC34CC2(C)C1C", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0192102" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "NHQMKSUTHDCJCC-UHFFFAOYSA-N": { "inchikey": "NHQMKSUTHDCJCC-UHFFFAOYSA-N", "inchikey2D": "NHQMKSUTHDCJCC", "names": [ "4,4,7,10,13,14-hexamethylpentacyclo[10.7.0.0²,¹⁰.0³,⁷.0¹³,¹⁷]nonadec-11-ene-9,18-diol" ], "molecular_formula": "C25H40O2", "smiles": "CC1CCC2C(O)CC3C(=CC4(C)C(O)CC5(C)CCC(C)(C)C5C34)C12C", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0140702" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "WHXUZXDWQKUIJL-UHFFFAOYSA-N": { "inchikey": "WHXUZXDWQKUIJL-UHFFFAOYSA-N", "inchikey2D": "WHXUZXDWQKUIJL", "names": [ "2,2,4a,8-tetramethyl-1h,2ah,3h,4h,5h,6h-cyclobuta[d]indene" ], "molecular_formula": "C15H24", "smiles": "CC1=CCCC2(C)CCC3C(C)(C)CC132", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0271131" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "QGDQQZUIBMCIHH-NXGPAIQASA-N": { "inchikey": "QGDQQZUIBMCIHH-NXGPAIQASA-N", "inchikey2D": "QGDQQZUIBMCIHH", "names": [ "(4ar,5s)-8-hydroxy-4a,5-dimethyl-3-(propan-2-ylidene)-5,6,7,8-tetrahydro-4h-naphthalen-2-one", "1-hydroxyeremophil-7(11),9(10)-dien-8-one" ], "molecular_formula": "C15H22O2", "smiles": "CC(C)=C1C[C@@]2(C)C(=CC1=O)C(O)CC[C@@H]2C", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0148630", "npaid": "NPA001915" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "QGDQQZUIBMCIHH-UHFFFAOYSA-N": { "inchikey": "QGDQQZUIBMCIHH-UHFFFAOYSA-N", "inchikey2D": "QGDQQZUIBMCIHH", "names": [ "8-hydroxy-4a,5-dimethyl-3-(propan-2-ylidene)-5,6,7,8-tetrahydro-4h-naphthalen-2-one" ], "molecular_formula": "C15H22O2", "smiles": "CC(C)=C1CC2(C)C(=CC1=O)C(O)CCC2C", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0201399" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "SBGVOJKUHUEKNQ-RDSADPLASA-N": { "inchikey": "SBGVOJKUHUEKNQ-RDSADPLASA-N", "inchikey2D": "SBGVOJKUHUEKNQ", "names": [ "(1r,3s,5s,6r,11s,13r,14r,15r)-6-hydroxy-1,5,15-trimethyl-4,12-dioxa-7-azapentacyclo[8.5.0.0³,⁵.0³,⁸.0¹¹,¹³]pentadeca-7,9-dien-14-yl acetate" ], "molecular_formula": "C17H21NO5", "smiles": "CC(=O)O[C@H]1[C@H]2O[C@H]2C2=CC3=N[C@H](O)[C@@]4(C)O[C@@]34C[C@]2(C)[C@H]1C", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0196050" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "NCEYLDMAYOKQNV-HYZYDHGCSA-N": { "inchikey": "NCEYLDMAYOKQNV-HYZYDHGCSA-N", "inchikey2D": "NCEYLDMAYOKQNV", "names": [ "(1s,2r,3s,7r,9r,10s,13r,14s,17r)-7-(hydroxymethyl)-4,4,10,13,14-pentamethylpentacyclo[10.7.0.0²,¹⁰.0³,⁷.0¹³,¹⁷]nonadec-11-en-9-ol", "Peniroquesine C" ], "molecular_formula": "C25H40O2", "smiles": "C[C@H]1CC[C@@H]2CC[C@@H]3C(=C[C@@]4(C)[C@H](O)C[C@]5(CO)CCC(C)(C)[C@@H]5[C@@H]34)[C@]12C", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0152841", "npaid": "NPA023967" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "RIMSRWLZAHVEPH-MZPVMMEZSA-N": { "inchikey": "RIMSRWLZAHVEPH-MZPVMMEZSA-N", "inchikey2D": "RIMSRWLZAHVEPH", "names": [ "(1r,2s,8ar)-1,8a-dimethyl-6-oxo-7-(propan-2-ylidene)-2,3,4,8-tetrahydro-1h-naphthalen-2-yl acetate", "(3S)-3-acetoxyeremophil-7(11),9(10)-dien-8-one" ], "molecular_formula": "C17H24O3", "smiles": "CC(=O)O[C@H]1CCC2=CC(=O)C(=C(C)C)C[C@]2(C)[C@H]1C", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0126330", "npaid": "NPA016809" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "AVFUXCSVVLQAGL-VIEAGMIOSA-N": { "inchikey": "AVFUXCSVVLQAGL-VIEAGMIOSA-N", "inchikey2D": "AVFUXCSVVLQAGL", "names": [ "Eremofortin C", "eremofortin c" ], "molecular_formula": "C17H22O6", "smiles": "CC(=O)O[C@H]1[C@H]2O[C@H]2C2=CC(=O)[C@]3(C[C@]2(C)[C@H]1C)O[C@]3(C)CO", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0151742", "npaid": "NPA003936" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "SLTLKLCDQWGISZ-MFHNVLSASA-N": { "inchikey": "SLTLKLCDQWGISZ-MFHNVLSASA-N", "inchikey2D": "SLTLKLCDQWGISZ", "names": [ "(5s)-4,11,11-trimethyl-10-methylidenetricyclo[5.3.1.0¹,⁵]undecane" ], "molecular_formula": "C15H24", "smiles": "C=C1CCC2C[C@H]3C(C)CCC13C2(C)C", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0153375" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "NQRGNSMJSDQOED-PZLQVYAASA-N": { "inchikey": "NQRGNSMJSDQOED-PZLQVYAASA-N", "inchikey2D": "NQRGNSMJSDQOED", "names": [ "(1ar,2s,3s,3ar,5r,7bs)-3,3',3',3a-tetramethyl-6-oxo-2,3,4,7b-tetrahydro-1ah-spiro[naphtho[1,2-b]oxirene-5,2'-oxiran]-2-yl acetate" ], "molecular_formula": "C17H22O5", "smiles": "CC(=O)O[C@H]1[C@@H](C)[C@@]2(C)C[C@]3(OC3(C)C)C(=O)C=C2[C@@H]2O[C@@H]21", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0114473" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "ASDRLEIRFUEAND-OQTUPIFJSA-N": { "inchikey": "ASDRLEIRFUEAND-OQTUPIFJSA-N", "inchikey2D": "ASDRLEIRFUEAND", "names": [ "(1ar,2r,3r,3's,3ar,5r,7bs)-2-(acetyloxy)-3,3',3a-trimethyl-6-oxo-2,3,4,7b-tetrahydro-1ah-spiro[naphtho[1,2-b]oxirene-5,2'-oxirane]-3'-carboximidic acid" ], "molecular_formula": "C17H21NO6", "smiles": "CC(=O)O[C@H]1[C@H]2O[C@H]2C2=CC(=O)[C@]3(C[C@]2(C)[C@H]1C)O[C@]3(C)C(=N)O", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0100338" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "GNZBYFOSVVLSLN-SQSGSWDZSA-N": { "inchikey": "GNZBYFOSVVLSLN-SQSGSWDZSA-N", "inchikey2D": "GNZBYFOSVVLSLN", "names": [ "(1r,3r,5r,8r,11s,13r,14r,15r)-8-hydroxy-1,5,15-trimethyl-4,7,12-trioxapentacyclo[8.5.0.0³,⁵.0³,⁸.0¹¹,¹³]pentadec-9-en-14-yl acetate" ], "molecular_formula": "C17H22O6", "smiles": "CC(=O)O[C@H]1[C@H]2O[C@H]2C2=C[C@@]3(O)OC[C@@]4(C)O[C@@]34C[C@]2(C)[C@H]1C", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0237027" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "GSPFUBNBRPVALJ-UHFFFAOYSA-N": { "inchikey": "GSPFUBNBRPVALJ-UHFFFAOYSA-N", "inchikey2D": "GSPFUBNBRPVALJ", "names": [ "3'-formyl-3,3',3a-trimethyl-6-oxo-2,3,4,7b-tetrahydro-1ah-spiro[naphtho[1,2-b]oxirene-5,2'-oxiran]-2-yl acetate", "PR-toxin" ], "molecular_formula": "C17H20O6", "smiles": "CC(=O)OC1C2OC2C2=CC(=O)C3(CC2(C)C1C)OC3(C)C=O", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0114383", "npaid": "NPA009783" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "GSPFUBNBRPVALJ-BATXVRRLSA-N": { "inchikey": "GSPFUBNBRPVALJ-BATXVRRLSA-N", "inchikey2D": "GSPFUBNBRPVALJ", "names": [ "(1as,2r,3s,3'r,3ar,5r,7br)-3'-formyl-3,3',3a-trimethyl-6-oxo-2,3,4,7b-tetrahydro-1ah-spiro[naphtho[1,2-b]oxirene-5,2'-oxiran]-2-yl acetate" ], "molecular_formula": "C17H20O6", "smiles": "CC(=O)O[C@H]1[C@@H]2O[C@@H]2C2=CC(=O)[C@]3(C[C@]2(C)[C@@H]1C)O[C@@]3(C)C=O", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0167532" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "KYKUTNUWXQVSSU-UHFFFAOYSA-N": { "inchikey": "KYKUTNUWXQVSSU-UHFFFAOYSA-N", "inchikey2D": "KYKUTNUWXQVSSU", "names": [ "9-hydroxy-4,4,11',11',14'-pentamethyl-3',14'-diazaspiro[[1,4]dioxepino[2,3-g]indole-8,12'-tetracyclo[6.5.2.0¹,¹⁰.0³,⁸]pentadecan]-15'-one" ], "molecular_formula": "C28H35N3O4", "smiles": "CN1C(=O)C23CCCCN2CC12CC1(C(O)=Nc4c1ccc1c4OC=CC(C)(C)O1)C(C)(C)C2C3", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0177388" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "NQRGNSMJSDQOED-MMYXWLFWSA-N": { "inchikey": "NQRGNSMJSDQOED-MMYXWLFWSA-N", "inchikey2D": "NQRGNSMJSDQOED", "names": [ "(1ar,2r,3r,3ar,7bs)-3,3',3',3a-tetramethyl-6-oxo-2,3,4,7b-tetrahydro-1ah-spiro[naphtho[1,2-b]oxirene-5,2'-oxiran]-2-yl acetate" ], "molecular_formula": "C17H22O5", "smiles": "CC(=O)O[C@H]1[C@H]2O[C@H]2C2=CC(=O)C3(C[C@]2(C)[C@H]1C)OC3(C)C", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0180402" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "SGIZPBSMKAKPSO-KVPGOQOISA-N": { "inchikey": "SGIZPBSMKAKPSO-KVPGOQOISA-N", "inchikey2D": "SGIZPBSMKAKPSO", "names": [ "(1's,8r,8's,10'r)-4,4,11',11'-tetramethyl-3',14'-diazaspiro[[1,4]dioxepino[2,3-g]indole-8,12'-tetracyclo[6.5.2.0¹,¹⁰.0³,⁸]pentadecan]-14'-ene-9,15'-diol", "Marcfortine B" ], "molecular_formula": "C27H33N3O4", "smiles": "CC1(C)C=COc2c(ccc3c2N=C(O)[C@@]32C[C@@]34CN5CCCC[C@]5(C[C@@H]3C2(C)C)C(O)=N4)O1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0157708", "npaid": "NPA009142" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "MEDWEEBWLKOHES-ABMOCFRJSA-N": { "inchikey": "MEDWEEBWLKOHES-ABMOCFRJSA-N", "inchikey2D": "MEDWEEBWLKOHES", "names": [ "(1's,3r,8's,10'r)-7,7,11',11'-tetramethyl-3',14'-diazaspiro[chromeno[5,6-b]pyrrole-3,12'-tetracyclo[6.5.2.0¹,¹⁰.0³,⁸]pentadecan]-14'-ene-2,15'-diol", "Marcfortine C" ], "molecular_formula": "C27H33N3O3", "smiles": "CC1(C)C=Cc2c(ccc3c2N=C(O)[C@@]32C[C@@]34CN5CCCC[C@]5(C[C@@H]3C2(C)C)C(O)=N4)O1", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0248012", "npaid": "NPA005301" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "JUXRVSRUBIFVKE-BBDZHYCFSA-N": { "inchikey": "JUXRVSRUBIFVKE-BBDZHYCFSA-N", "inchikey2D": "JUXRVSRUBIFVKE", "names": [ "fumigaclavine b" ], "molecular_formula": "C16H20N2O", "smiles": "C[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2[C@H]1O", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0195297" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "KYKUTNUWXQVSSU-KATYWHKBSA-N": { "inchikey": "KYKUTNUWXQVSSU-KATYWHKBSA-N", "inchikey2D": "KYKUTNUWXQVSSU", "names": [ "(1'r,8s,8'r,10's)-9-hydroxy-4,4,11',11',14'-pentamethyl-3',14'-diazaspiro[[1,4]dioxepino[2,3-g]indole-8,12'-tetracyclo[6.5.2.0¹,¹⁰.0³,⁸]pentadecan]-15'-one" ], "molecular_formula": "C28H35N3O4", "smiles": "CN1C(=O)[C@]23CCCCN2C[C@]12C[C@]1(C(O)=Nc4c1ccc1c4OC=CC(C)(C)O1)C(C)(C)[C@@H]2C3", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0267833" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "RIMSRWLZAHVEPH-UHFFFAOYSA-N": { "inchikey": "RIMSRWLZAHVEPH-UHFFFAOYSA-N", "inchikey2D": "RIMSRWLZAHVEPH", "names": [ "1,8a-dimethyl-6-oxo-7-(propan-2-ylidene)-2,3,4,8-tetrahydro-1h-naphthalen-2-yl acetate" ], "molecular_formula": "C17H24O3", "smiles": "CC(=O)OC1CCC2=CC(=O)C(=C(C)C)CC2(C)C1C", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0078515" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "NHQMKSUTHDCJCC-DRKMRSHQSA-N": { "inchikey": "NHQMKSUTHDCJCC-DRKMRSHQSA-N", "inchikey2D": "NHQMKSUTHDCJCC", "names": [ "(1s,2r,3s,7s,9r,10s,13r,14s,17s,18s)-4,4,7,10,13,14-hexamethylpentacyclo[10.7.0.0²,¹⁰.0³,⁷.0¹³,¹⁷]nonadec-11-ene-9,18-diol", "Peniroquesine A" ], "molecular_formula": "C25H40O2", "smiles": "C[C@H]1CC[C@@H]2[C@@H](O)C[C@@H]3C(=C[C@@]4(C)[C@H](O)C[C@]5(C)CCC(C)(C)[C@@H]5[C@@H]34)[C@]12C", "species": [ "[npatlas-query] Penicillium", "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0219502", "npaid": "NPA023965" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "GREY:Penicillium", "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "IKMDAJQFLYGHII-UHFFFAOYSA-N": { "inchikey": "IKMDAJQFLYGHII-UHFFFAOYSA-N", "inchikey2D": "IKMDAJQFLYGHII", "names": [ "2-[({6,8-dibromo-5,7-dimethylimidazo[1,2-a]pyridin-3-yl}methyl)sulfanyl]ethanol" ], "molecular_formula": "C12H14Br2N2OS", "smiles": "Cc1c(Br)c(C)n2c(CSCCO)cnc2c1Br", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0218229" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "AVFUXCSVVLQAGL-UHFFFAOYSA-N": { "inchikey": "AVFUXCSVVLQAGL-UHFFFAOYSA-N", "inchikey2D": "AVFUXCSVVLQAGL", "names": [ "3'-(hydroxymethyl)-3,3',3a-trimethyl-6-oxo-2,3,4,7b-tetrahydro-1ah-spiro[naphtho[1,2-b]oxirene-5,2'-oxiran]-2-yl acetate" ], "molecular_formula": "C17H22O6", "smiles": "CC(=O)OC1C2OC2C2=CC(=O)C3(CC2(C)C1C)OC3(C)CO", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0167096" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "OINAUIRNJMJNQC-POIMFXOUSA-N": { "inchikey": "OINAUIRNJMJNQC-POIMFXOUSA-N", "inchikey2D": "OINAUIRNJMJNQC", "names": [ "(1r,3s,5s,8s,10r,11s,13s,14r,15s)-8-hydroxy-1,5,15-trimethyl-4,7,12-trioxapentacyclo[8.5.0.0³,⁵.0³,⁸.0¹¹,¹³]pentadecan-14-yl acetate" ], "molecular_formula": "C17H24O6", "smiles": "CC(=O)O[C@H]1[C@H]2O[C@H]2[C@@H]2C[C@]3(O)OC[C@]4(C)O[C@@]43C[C@]2(C)[C@@H]1C", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0207614" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "ASDRLEIRFUEAND-BUJLKNGDSA-N": { "inchikey": "ASDRLEIRFUEAND-BUJLKNGDSA-N", "inchikey2D": "ASDRLEIRFUEAND", "names": [ "(1as,2s,3r,3'r,3ar,5s,7br)-2-(acetyloxy)-3,3',3a-trimethyl-6-oxo-2,3,4,7b-tetrahydro-1ah-spiro[naphtho[1,2-b]oxirene-5,2'-oxirane]-3'-carboximidic acid" ], "molecular_formula": "C17H21NO6", "smiles": "CC(=O)O[C@@H]1[C@@H]2O[C@@H]2C2=CC(=O)[C@@]3(C[C@]2(C)[C@H]1C)O[C@@]3(C)C(=N)O", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0035440" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "OINAUIRNJMJNQC-UHFFFAOYSA-N": { "inchikey": "OINAUIRNJMJNQC-UHFFFAOYSA-N", "inchikey2D": "OINAUIRNJMJNQC", "names": [ "8-hydroxy-1,5,15-trimethyl-4,7,12-trioxapentacyclo[8.5.0.0³,⁵.0³,⁸.0¹¹,¹³]pentadecan-14-yl acetate" ], "molecular_formula": "C17H24O6", "smiles": "CC(=O)OC1C2OC2C2CC3(O)OCC4(C)OC43CC2(C)C1C", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0006933" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "DEUGGGVTLCYZPU-QPXUXIHVSA-N": { "inchikey": "DEUGGGVTLCYZPU-QPXUXIHVSA-N", "inchikey2D": "DEUGGGVTLCYZPU", "names": [ "(2s)-2-{[(2r)-2-{[(2s)-2-{[(2r)-2-amino-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-3-phenylpropanoic acid" ], "molecular_formula": "C28H38N4O5", "smiles": "CC(C)[C@H](N=C(O)[C@H](N)Cc1ccccc1)C(O)=N[C@@H](C(O)=N[C@@H](Cc1ccccc1)C(=O)O)C(C)C", "species": [ "[query-hint] Penicillium roqueforti" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0054142" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Penicillium roqueforti==Penicillium roqueforti" ] }, "GSPFUBNBRPVALJ-VIEAGMIOSA-N": { "inchikey": "GSPFUBNBRPVALJ-VIEAGMIOSA-N", "inchikey2D": "GSPFUBNBRPVALJ", "names": [ "pr-toxin" ], "molecular_formula": "C17H20O6", "smiles": 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"molecular_formula": "C23H34O3", "smiles": "CC(=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(C)(C(=O)O)C1CC3", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0191872" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "VAKGCQGAOMIBKI-UHFFFAOYSA-N": { "inchikey": "VAKGCQGAOMIBKI-UHFFFAOYSA-N", "inchikey2D": "VAKGCQGAOMIBKI", "names": [ "7,8-bis(hydroxymethyl)-2,2,4-trimethyl-3,3a,4,5,6,7-hexahydro-1h-azulen-1-ol" ], "molecular_formula": "C15H26O3", "smiles": "CC1CCC(CO)C(CO)=C2C1CC(C)(C)C2O", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0136390" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "AJGBUIPZHMUZEY-UHFFFAOYSA-N": { "inchikey": "AJGBUIPZHMUZEY-UHFFFAOYSA-N", "inchikey2D": "AJGBUIPZHMUZEY", "names": [ 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"toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "CPCPGWKAUSNIIR-IUODEOHRSA-N": { "inchikey": "CPCPGWKAUSNIIR-IUODEOHRSA-N", "inchikey2D": "CPCPGWKAUSNIIR", "names": [ "5-[(1r,2s)-2-hydroxy-2-(hydroxymethyl)-6,6-dimethylcyclohexyl]-3-methylpenta-2,4-dienoic acid", "Phellinulin I" ], "molecular_formula": "C15H24O4", "smiles": "CC(C=C[C@@H]1C(C)(C)CCC[C@@]1(O)CO)=CC(=O)O", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0137639", "npaid": "NPA027948" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "PMHPKACPFSSSGB-OZTPJHRESA-N": { "inchikey": "PMHPKACPFSSSGB-OZTPJHRESA-N", "inchikey2D": "PMHPKACPFSSSGB", "names": [ "11,12-dihydroxy-7β-hydroperoxytremul-1(10)-ene", "[(4s,5s,8s,8ar)-8a-hydroperoxy-4-(hydroxymethyl)-2,2,8-trimethyl-1,4,5,6,7,8-hexahydroazulen-5-yl]methanol" ], "molecular_formula": 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"INCLUDE:Phellinus==Phellinus" ] }, "LLCIPPXEWGIJFE-UHFFFAOYSA-N": { "inchikey": "LLCIPPXEWGIJFE-UHFFFAOYSA-N", "inchikey2D": "LLCIPPXEWGIJFE", "names": [ "3a,6,6,9a,11a-pentamethyl-1-(6-methylhept-6-en-2-yl)-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C30H50O", "smiles": "C=C(C)CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0026022" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "NBGQZFQREPIKMG-PONOSELZSA-N": { "inchikey": "NBGQZFQREPIKMG-PONOSELZSA-N", "inchikey2D": "NBGQZFQREPIKMG", "names": [ "β-boswellic acid" ], "molecular_formula": "C30H48O3", "smiles": "C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@H]12", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0092646" }, 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"inchikey2D": "BRGPOTGGFUVACV", "names": [ "2-[(1s,3as,7s,9as,11as)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-(4-methylfuran-2-yl)propan-1-one", "Igniarine" ], "molecular_formula": "C30H44O3", "smiles": "Cc1coc(C(=O)C(C)[C@@H]2CC[C@]3(C)C4=C(CC[C@@]23C)[C@@]2(C)CC[C@H](O)C(C)(C)C2CC4)c1", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0118732", "npaid": "NPA024597" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "QABTZOKANJRUFL-UHFFFAOYSA-N": { "inchikey": "QABTZOKANJRUFL-UHFFFAOYSA-N", "inchikey2D": "QABTZOKANJRUFL", "names": [ "1-carbomethoxybenzene 1,2-oxide", "methyl 7-oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxylate" ], "molecular_formula": "C8H8O3", "smiles": "COC(=O)C12C=CC=CC1O2", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0172929", "npaid": "NPA008273" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "ZZFKHLIWGPVHIE-QEYMEJSQSA-N": { "inchikey": "ZZFKHLIWGPVHIE-QEYMEJSQSA-N", "inchikey2D": "ZZFKHLIWGPVHIE", "names": [ "(2s,5r,6r,10r,13r,14r)-13-[(2s,3r)-3-hydroxy-6-methyl-5-methylideneheptan-2-yl]-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid", "Gilvsin D" ], "molecular_formula": "C30H48O3", "smiles": "C=C(C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@](C)(C(=O)O)[C@@H]1CC3)C(C)C", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0092386", "npaid": "NPA010723" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, 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"toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "WBJFOHSVLCPQAU-MPVNRERKSA-N": { "inchikey": "WBJFOHSVLCPQAU-MPVNRERKSA-N", "inchikey2D": "WBJFOHSVLCPQAU", "names": [ "(3z)-6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-3-[(3,4-dihydroxyphenyl)methylidene]-2-methoxy-2-(2-oxopropyl)furo[3,2-c]pyran-4-one", "Phelligridin F" ], "molecular_formula": "C26H22O9", "smiles": "COC1(CC(C)=O)Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2/C1=C/c1ccc(O)c(O)c1", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0202684", "npaid": "NPA010997" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "AJGBUIPZHMUZEY-NQBHXWOUSA-N": { "inchikey": "AJGBUIPZHMUZEY-NQBHXWOUSA-N", "inchikey2D": "AJGBUIPZHMUZEY", "names": [ "Ribisin A", "ribisin a" ], "molecular_formula": "C13H12O5", "smiles": "CO[C@@H]1C(=O)c2c(oc3ccccc23)[C@H](O)[C@H]1O", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0203809", "npaid": "NPA013411" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "KJLCZLBABYCKPW-JLZKFPODSA-N": { "inchikey": "KJLCZLBABYCKPW-JLZKFPODSA-N", "inchikey2D": "KJLCZLBABYCKPW", "names": [ "(3as,5ar,6r,8as)-6-[(2r,3e,5r)-5,6-dihydroxy-5,6-dimethylhept-3-en-2-yl]-8a-hydroxy-5a-methyl-3ah,4h,5h,6h,7h,8h-indeno[5,4-b]furan-2-one" ], "molecular_formula": "C21H32O5", "smiles": "C[C@H](/C=C/[C@@](C)(O)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)O[C@H]3CC[C@]12C", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0194386" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "HOHBPQJOCNDYKZ-YPMHNXCESA-N": { "inchikey": "HOHBPQJOCNDYKZ-YPMHNXCESA-N", "inchikey2D": "HOHBPQJOCNDYKZ", "names": [ "(3r)-5-[(1r)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid", "Phellinulin M" ], "molecular_formula": "C15H26O2", "smiles": "C=C1CCCC(C)(C)[C@H]1CC[C@@H](C)CC(=O)O", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0255184", "npaid": "NPA027942" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "JJLVOTNDHUXPOI-UHFFFAOYSA-N": { "inchikey": "JJLVOTNDHUXPOI-UHFFFAOYSA-N", "inchikey2D": "JJLVOTNDHUXPOI", "names": [ "7-hydroxy-1-(3-hydroxy-6-methyl-5-methylideneheptan-2-yl)-3a,6,9a,11a-tetramethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-6-carboxylic acid" ], "molecular_formula": "C31H50O4", "smiles": "C=C(CC(O)C(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C(=O)O)C1CC3)C(C)C", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { 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"(4s,5r,8s,8as)-5-(hydroxymethyl)-2,2,4,8-tetramethyl-1,5,6,7,8,8a-hexahydroazulen-4-ol" ], "molecular_formula": "C15H26O2", "smiles": "C[C@H]1CC[C@H](CO)[C@](C)(O)C2=CC(C)(C)C[C@H]21", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0139613", "npaid": "NPA016376" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "SJGDDDWMCGNKNE-DNAHYVPOSA-N": { "inchikey": "SJGDDDWMCGNKNE-DNAHYVPOSA-N", "inchikey2D": "SJGDDDWMCGNKNE", "names": [ "(1r,3ar,6s,7r,9as,11ar)-1-[(2s,3r)-3-hydroxy-6-methyl-5-methylideneheptan-2-yl]-3a,6,9a,11a-tetramethyl-1h,2h,3h,4h,5h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-ol", "Igniaren C" ], "molecular_formula": "C30H50O2", "smiles": "C=C(C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)[C@@H](C)C1CC3)C(C)C", "species": [ "[npatlas-query] Phellinus", "[query-hint] 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"smiles": "CC1(C)C=Cc2c(c(O)cc3oc4cc(O)ccc4c(=O)c23)O1", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0152865" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "FCPQZTGWUINDJM-UHFFFAOYSA-N": { "inchikey": "FCPQZTGWUINDJM-UHFFFAOYSA-N", "inchikey2D": "FCPQZTGWUINDJM", "names": [ "6,8,8-trimethyl-3h,3ah,4h,5h,6h,6ah,7h,9bh-azuleno[4,5-c]furan-1-one" ], "molecular_formula": "C15H22O2", "smiles": "CC1CCC2COC(=O)C2C2=CC(C)(C)CC21", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0166376" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "WYUFTYLVLQZQNH-JAJWTYFOSA-N": { "inchikey": "WYUFTYLVLQZQNH-JAJWTYFOSA-N", "inchikey2D": "WYUFTYLVLQZQNH", "names": [ "ethyl glucoside" ], "molecular_formula": "C8H16O6", "smiles": "CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0141759" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "DUUZWEOWPLXBAR-TUAOUCFPSA-N": { "inchikey": "DUUZWEOWPLXBAR-TUAOUCFPSA-N", "inchikey2D": "DUUZWEOWPLXBAR", "names": [ "Tremulenediol A", "[(5s,8s,8as)-4-(hydroxymethyl)-2,2,8-trimethyl-3,5,6,7,8,8a-hexahydro-1h-azulen-5-yl]methanol" ], "molecular_formula": "C15H26O2", "smiles": "C[C@H]1CC[C@H](CO)C(CO)=C2CC(C)(C)C[C@H]21", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0271343", "npaid": "NPA004811" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "WBJFOHSVLCPQAU-UHFFFAOYSA-N": { "inchikey": "WBJFOHSVLCPQAU-UHFFFAOYSA-N", "inchikey2D": "WBJFOHSVLCPQAU", "names": [ "6-[2-(3,4-dihydroxyphenyl)ethenyl]-3-[(3,4-dihydroxyphenyl)methylidene]-2-methoxy-2-(2-oxopropyl)furo[3,2-c]pyran-4-one" ], "molecular_formula": "C26H22O9", "smiles": "COC1(CC(C)=O)Oc2cc(C=Cc3ccc(O)c(O)c3)oc(=O)c2C1=Cc1ccc(O)c(O)c1", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0144335" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "SWZHEXQWHYRGEY-YUTCNCBUSA-N": { "inchikey": "SWZHEXQWHYRGEY-YUTCNCBUSA-N", "inchikey2D": "SWZHEXQWHYRGEY", "names": [ "Ribisin B", "ribisin b" ], "molecular_formula": "C14H14O5", "smiles": "CO[C@@H]1C(=O)c2c(oc3ccccc23)[C@H](O)[C@@H]1OC", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0139243", "npaid": "NPA003190" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, 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"[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0157198", "npaid": "NPA001077" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "HRPMTHJYSWKEDI-UHFFFAOYSA-N": { "inchikey": "HRPMTHJYSWKEDI-UHFFFAOYSA-N", "inchikey2D": "HRPMTHJYSWKEDI", "names": [ "8,9-dihydroxy-1,6-dioxopyrano[4,3-c]isochromene-3-carboxylic acid", "Phelligridin J" ], "molecular_formula": "C13H6O8", "smiles": "O=C(O)c1cc2oc(=O)c3cc(O)c(O)cc3c2c(=O)o1", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0155571", "npaid": "NPA016840" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "KACNZZDTDRMFPX-STQMWFEESA-N": { "inchikey": "KACNZZDTDRMFPX-STQMWFEESA-N", "inchikey2D": "KACNZZDTDRMFPX", "names": [ "5-[(1r,4r)-4-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpenta-2,4-dienoic acid", "Phellinulin G" ], "molecular_formula": "C15H22O3", "smiles": "C=C1C[C@H](O)CC(C)(C)[C@H]1C=CC(C)=CC(=O)O", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0157573", "npaid": "NPA027946" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "SJGDDDWMCGNKNE-UHFFFAOYSA-N": { "inchikey": "SJGDDDWMCGNKNE-UHFFFAOYSA-N", "inchikey2D": "SJGDDDWMCGNKNE", "names": [ "1-(3-hydroxy-6-methyl-5-methylideneheptan-2-yl)-3a,6,9a,11a-tetramethyl-1h,2h,3h,4h,5h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-ol" ], "molecular_formula": "C30H50O2", "smiles": "C=C(CC(O)C(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)C1CC3)C(C)C", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0144239" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "GNCWMCSOOYUYGR-JDZGAICCSA-N": { "inchikey": "GNCWMCSOOYUYGR-JDZGAICCSA-N", "inchikey2D": "GNCWMCSOOYUYGR", "names": [ "3-[(1r,2s)-1-hydroxy-7,7-dimethyl-1,2,3,5,6,7a-hexahydroinden-2-yl]but-2-enoic acid", "Phellilin B" ], "molecular_formula": "C15H22O3", "smiles": "CC(=CC(=O)O)[C@@H]1CC2=CCCC(C)(C)C2[C@@H]1O", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0152820", "npaid": "NPA003004" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "MUCSQDHAVMOROR-QJZXMWHDSA-N": { "inchikey": "MUCSQDHAVMOROR-QJZXMWHDSA-N", "inchikey2D": "MUCSQDHAVMOROR", "names": [ "12,15-dihydroxytremulene", "[(2s,5s,8s,8as)-5-(hydroxymethyl)-2,4,8-trimethyl-3,5,6,7,8,8a-hexahydro-1h-azulen-2-yl]methanol" ], "molecular_formula": "C15H26O2", "smiles": "CC1=C2C[C@@](C)(CO)C[C@H]2[C@@H](C)CC[C@@H]1CO", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0110769", "npaid": "NPA014595" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "WCGUUGGRBIKTOS-GPOJBZKASA-N": { "inchikey": "WCGUUGGRBIKTOS-GPOJBZKASA-N", "inchikey2D": "WCGUUGGRBIKTOS", "names": [ "ursolic acid" ], "molecular_formula": "C30H48O3", "smiles": "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0250838" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "KWLZQMPOIJYXDR-SNVBAGLBSA-N": { "inchikey": "KWLZQMPOIJYXDR-SNVBAGLBSA-N", "inchikey2D": "KWLZQMPOIJYXDR", "names": [ "3-[(2s)-4,4-dimethyl-7-oxo-2,3,5,6-tetrahydro-1h-inden-2-yl]but-2-enoic acid", "Phellilin A" ], "molecular_formula": "C15H20O3", "smiles": "CC(=CC(=O)O)[C@@H]1CC2=C(C1)C(C)(C)CCC2=O", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0114951", "npaid": "NPA013704" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "HCUSHIWVGLUDLU-DUXPYHPUSA-N": { "inchikey": "HCUSHIWVGLUDLU-DUXPYHPUSA-N", "inchikey2D": "HCUSHIWVGLUDLU", "names": [ "2'-acetyl-5-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-5',6'-dihydroxyspiro[furan-2,1'-inden]-3-one", "Phelliribsin A" ], "molecular_formula": "C22H16O7", "smiles": "CC(=O)C1=Cc2cc(O)c(O)cc2C12OC(/C=C/c1ccc(O)c(O)c1)=CC2=O", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0156889", "npaid": "NPA016381" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "ODCSFCQFCURYEG-YRNVUSSQSA-N": { "inchikey": "ODCSFCQFCURYEG-YRNVUSSQSA-N", "inchikey2D": "ODCSFCQFCURYEG", "names": [ "(4e)-7-phenylhept-4-en-3-one", "1-Phenylhept-3-en-4-one" ], "molecular_formula": "C13H16O", "smiles": "CCC(=O)/C=C/CCc1ccccc1", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0090002", "npaid": "NPA005543" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "KAEWYNFUJFCGQA-UHFFFAOYSA-N": { "inchikey": "KAEWYNFUJFCGQA-UHFFFAOYSA-N", "inchikey2D": "KAEWYNFUJFCGQA", "names": [ "3-(2-{2-[2-(3,4-dihydroxyphenyl)-3-(4-hydroxy-6-oxopyran-2-yl)-4-oxo-2h,3h-furo[3,2-c]pyran-6-yl]ethenyl}-4,5-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxypyran-2-one" ], "molecular_formula": "C39H26O15", "smiles": "O=c1cc(O)cc(C2c3c(cc(C=Cc4cc(O)c(O)cc4-c4c(O)cc(C=Cc5ccc(O)c(O)c5)oc4=O)oc3=O)OC2c2ccc(O)c(O)c2)o1", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0092478" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "DMSAIYCKECUGHO-VWLOTQADSA-N": { "inchikey": "DMSAIYCKECUGHO-VWLOTQADSA-N", "inchikey2D": "DMSAIYCKECUGHO", "names": [ "3-[(2s)-5',6'-dihydroxy-5-methyl-3-oxospiro[furan-2,1'-inden]-2'-yl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione" ], "molecular_formula": "C25H14O10", "smiles": "CC1=CC(=O)[C@@]2(O1)C(c1cc3oc(=O)c4cc(O)c(O)cc4c3c(=O)o1)=Cc1cc(O)c(O)cc12", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0248385" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "KJLCZLBABYCKPW-TYLZOSBASA-N": { "inchikey": "KJLCZLBABYCKPW-TYLZOSBASA-N", "inchikey2D": "KJLCZLBABYCKPW", "names": [ "(3as,5ar,6r,8as)-6-[(2r)-5,6-dihydroxy-5,6-dimethylhept-3-en-2-yl]-8a-hydroxy-5a-methyl-3ah,4h,5h,6h,7h,8h-indeno[5,4-b]furan-2-one", "Phellinignincisterol B" ], "molecular_formula": "C21H32O5", "smiles": "C[C@H](C=CC(C)(O)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)O[C@H]3CC[C@]12C", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0209968", "npaid": "NPA004355" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "ORNNIOPPXVEPKC-DNAHYVPOSA-N": { "inchikey": "ORNNIOPPXVEPKC-DNAHYVPOSA-N", "inchikey2D": "ORNNIOPPXVEPKC", "names": [ "(1r,3ar,6s,7r,9as,11ar)-1-[(2s,3r)-3-hydroxy-6-methyl-5-methylideneheptan-2-yl]-3a,6,9a,11a-tetramethyl-1h,2h,3h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol", "Igniaren B" ], "molecular_formula": "C30H48O2", 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"INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "SMLKYYVQXIKCAM-ZLKJLUDKSA-N": { "inchikey": "SMLKYYVQXIKCAM-ZLKJLUDKSA-N", "inchikey2D": "SMLKYYVQXIKCAM", "names": [ "Ribisin D", "ribisin d" ], "molecular_formula": "C14H14O6", "smiles": "CO[C@@H]1C(=O)c2c(oc3c(O)cccc23)[C@H](O)[C@H]1OC", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0109879", "npaid": "NPA009677" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "AQXTXYPAJZSNIZ-UHFFFAOYSA-N": { "inchikey": "AQXTXYPAJZSNIZ-UHFFFAOYSA-N", "inchikey2D": "AQXTXYPAJZSNIZ", "names": [ "8,9-dihydroxy-3-methylpyrano[4,3-c]isochromene-1,6-dione" ], "molecular_formula": "C13H8O6", "smiles": "Cc1cc2oc(=O)c3cc(O)c(O)cc3c2c(=O)o1", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0181331" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "NOEGNKMFWQHSLB-UHFFFAOYSA-N": { "inchikey": "NOEGNKMFWQHSLB-UHFFFAOYSA-N", "inchikey2D": "NOEGNKMFWQHSLB", "names": [ "hydroxymethylfurfural" ], "molecular_formula": "C6H6O3", "smiles": "O=Cc1ccc(CO)o1", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0233269" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "CXRTZNIGUJLOOU-SZWZKDINSA-N": { "inchikey": "CXRTZNIGUJLOOU-SZWZKDINSA-N", "inchikey2D": "CXRTZNIGUJLOOU", "names": [ "(-)-(2R,3S,6S,7S,9R)-tremul-1(10)-ene-11,12,14-triol", "[(2r,4r,5s,8s,8as)-4,5-bis(hydroxymethyl)-2,8-dimethyl-4,5,6,7,8,8a-hexahydro-1h-azulen-2-yl]methanol" ], "molecular_formula": "C15H26O3", "smiles": "C[C@H]1CC[C@H](CO)[C@@H](CO)C2=C[C@](C)(CO)C[C@H]21", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0129860", "npaid": "NPA003297" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "OLAJHZSASFEBCD-SZVJZYDNSA-N": { "inchikey": "OLAJHZSASFEBCD-SZVJZYDNSA-N", "inchikey2D": "OLAJHZSASFEBCD", "names": [ "(2s,4z,5r)-5-(1,2-dihydroxyethyl)-4-{[5-(hydroxymethyl)furan-2-yl]methylidene}-2-methoxyoxolan-3-one", "Phellinusfuran A" ], "molecular_formula": "C13H16O7", "smiles": "CO[C@H]1O[C@@H](C(O)CO)/C(=C/c2ccc(CO)o2)C1=O", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0186427", "npaid": "NPA003635" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "CJFXDDUPHVDEGG-WBQDRZHYSA-N": { "inchikey": "CJFXDDUPHVDEGG-WBQDRZHYSA-N", "inchikey2D": "CJFXDDUPHVDEGG", "names": [ "phelligridimer a" ], "molecular_formula": 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"INCLUDE:Phellinus==Phellinus" ] }, "LGWGHIVCHVTBRS-UHFFFAOYSA-N": { "inchikey": "LGWGHIVCHVTBRS-UHFFFAOYSA-N", "inchikey2D": "LGWGHIVCHVTBRS", "names": [ "2-Carbomethoxyoxepin", "methyl oxepine-2-carboxylate" ], "molecular_formula": "C8H8O3", "smiles": "COC(=O)C1=CC=CC=CO1", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0186627", "npaid": "NPA009846" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "XFJROLBQWOPDSD-WSXWTOPLSA-N": { "inchikey": "XFJROLBQWOPDSD-WSXWTOPLSA-N", "inchikey2D": "XFJROLBQWOPDSD", "names": [ "(1s,3as,4s,7s)-7-(hydroxymethyl)-2,2,4,8-tetramethyl-3,3a,4,5,6,7-hexahydro-1h-azulen-1-ol", "10β,12-dihydroxytremulene" ], "molecular_formula": "C15H26O2", "smiles": "CC1=C2[C@@H](CC(C)(C)[C@@H]2O)[C@@H](C)CC[C@@H]1CO", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], 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Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0075571" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "PGRXQKVGAJTEBU-DAFODLJHSA-N": { "inchikey": "PGRXQKVGAJTEBU-DAFODLJHSA-N", "inchikey2D": "PGRXQKVGAJTEBU", "names": [ "3-[2-(3,4-dihydroxyphenyl)-6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-oxofuro[3,2-c]pyran-3-yl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione", "Phelligridin H" ], "molecular_formula": "C33H18O13", "smiles": "O=c1oc2cc(-c3c(-c4ccc(O)c(O)c4)oc4cc(/C=C/c5ccc(O)c(O)c5)oc(=O)c34)oc(=O)c2c2cc(O)c(O)cc12", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0198404", "npaid": "NPA006400" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "PMHPKACPFSSSGB-UHFFFAOYSA-N": { "inchikey": "PMHPKACPFSSSGB-UHFFFAOYSA-N", "inchikey2D": "PMHPKACPFSSSGB", "names": [ "[8a-hydroperoxy-4-(hydroxymethyl)-2,2,8-trimethyl-1,4,5,6,7,8-hexahydroazulen-5-yl]methanol" ], "molecular_formula": "C15H26O4", "smiles": "CC1CCC(CO)C(CO)C2=CC(C)(C)CC21OO", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0214966" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "OCZFSWYTAUQJDV-OPDFLTKYSA-N": { "inchikey": "OCZFSWYTAUQJDV-OPDFLTKYSA-N", "inchikey2D": "OCZFSWYTAUQJDV", "names": [ "Tremulenediol B", "[(4s,5s,8s,8as)-4-(hydroxymethyl)-2,2,8-trimethyl-4,5,6,7,8,8a-hexahydro-1h-azulen-5-yl]methanol" ], "molecular_formula": "C15H26O2", "smiles": "C[C@H]1CC[C@H](CO)[C@H](CO)C2=CC(C)(C)C[C@H]21", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0266577", "npaid": "NPA006778" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "ZTYVCEZGXCLVBN-UHFFFAOYSA-N": { "inchikey": "ZTYVCEZGXCLVBN-UHFFFAOYSA-N", "inchikey2D": "ZTYVCEZGXCLVBN", "names": [ "3-{7,7-dimethyl-3-oxatricyclo[4.4.0.0¹,⁵]decan-4-yl}but-2-enoic acid" ], "molecular_formula": "C15H22O3", "smiles": "CC(=CC(=O)O)C1OCC23CCCC(C)(C)C2C13", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0214802" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "UGPZTQMEPPUALH-DDBJMSOFSA-N": { "inchikey": "UGPZTQMEPPUALH-DDBJMSOFSA-N", "inchikey2D": "UGPZTQMEPPUALH", "names": [ "(2s,4s,6s,10r,13r,14r)-13-[(2s,3r)-3-hydroxy-6-methyl-5-methylideneheptan-2-yl]-2,4,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-4-carboxylic acid" ], "molecular_formula": "C30H48O3", "smiles": "C=C(C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@](C)(C(=O)O)C[C@@H]1CC3)C(C)C", "species": [ 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"INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "KAEWYNFUJFCGQA-UPSVAIHWSA-N": { "inchikey": "KAEWYNFUJFCGQA-UPSVAIHWSA-N", "inchikey2D": "KAEWYNFUJFCGQA", "names": [ "Phellinstatin", "phellinstatin" ], "molecular_formula": "C39H26O15", "smiles": "O=c1cc(O)cc([C@H]2c3c(cc(/C=C/c4cc(O)c(O)cc4-c4c(O)cc(/C=C/c5ccc(O)c(O)c5)oc4=O)oc3=O)O[C@@H]2c2ccc(O)c(O)c2)o1", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0025549", "npaid": "NPA019616" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "FCPQZTGWUINDJM-NOHGZBONSA-N": { "inchikey": "FCPQZTGWUINDJM-NOHGZBONSA-N", "inchikey2D": "FCPQZTGWUINDJM", "names": [ "(3as,6s,6as,9bs)-6,8,8-trimethyl-3h,3ah,4h,5h,6h,6ah,7h,9bh-azuleno[4,5-c]furan-1-one", "Tremulenolide B" ], "molecular_formula": "C15H22O2", "smiles": 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[ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0236887" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "PGRXQKVGAJTEBU-UHFFFAOYSA-N": { "inchikey": "PGRXQKVGAJTEBU-UHFFFAOYSA-N", "inchikey2D": "PGRXQKVGAJTEBU", "names": [ "3-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-oxofuro[3,2-c]pyran-3-yl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione" ], "molecular_formula": "C33H18O13", "smiles": "O=c1oc2cc(-c3c(-c4ccc(O)c(O)c4)oc4cc(C=Cc5ccc(O)c(O)c5)oc(=O)c34)oc(=O)c2c2cc(O)c(O)cc12", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0227318" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "MRWXACSTFXYYMV-GHCJXIJMSA-N": { "inchikey": "MRWXACSTFXYYMV-GHCJXIJMSA-N", "inchikey2D": "MRWXACSTFXYYMV", "names": [ "(2s,3r,4s,5s)-2-(hydroxymethyl)-5-(purin-9-yl)oxolane-3,4-diol" ], "molecular_formula": "C10H12N4O4", "smiles": "OC[C@@H]1O[C@H](n2cnc3cncnc32)[C@@H](O)[C@H]1O", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0237374" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "NVXZQXONYVZZPN-KGYLQXTDSA-N": { "inchikey": "NVXZQXONYVZZPN-KGYLQXTDSA-N", "inchikey2D": "NVXZQXONYVZZPN", "names": [ "(3r)-5-[(1s,3r)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid", "Phellinulin N" ], "molecular_formula": "C15H26O3", "smiles": "C=C1CC[C@@H](O)C(C)(C)[C@H]1CC[C@@H](C)CC(=O)O", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0172508", "npaid": "NPA027943" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "CXRTZNIGUJLOOU-XXUMUBMXSA-N": { "inchikey": "CXRTZNIGUJLOOU-XXUMUBMXSA-N", "inchikey2D": "CXRTZNIGUJLOOU", "names": [ "(-)-(2S,3S,6S,7S,9S)-tremul-1(10)-ene-11,12,15-triol", "[(2s,4s,5s,8s,8as)-4,5-bis(hydroxymethyl)-2,8-dimethyl-4,5,6,7,8,8a-hexahydro-1h-azulen-2-yl]methanol" ], "molecular_formula": "C15H26O3", "smiles": "C[C@H]1CC[C@H](CO)[C@H](CO)C2=C[C@@](C)(CO)C[C@H]21", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0048486", "npaid": "NPA006448" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "FGGCAMZUJUBLJM-UHFFFAOYSA-N": { "inchikey": "FGGCAMZUJUBLJM-UHFFFAOYSA-N", "inchikey2D": "FGGCAMZUJUBLJM", "names": [ "7-phenylheptan-3-ol" ], "molecular_formula": "C13H20O", "smiles": "CCC(O)CCCCc1ccccc1", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0240514" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "DRTQHJPVMGBUCF-UCVXFZOQSA-N": { "inchikey": "DRTQHJPVMGBUCF-UCVXFZOQSA-N", "inchikey2D": "DRTQHJPVMGBUCF", "names": [ "1-[(2s,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxypyrimidin-2-one" ], "molecular_formula": "C9H12N2O6", "smiles": "O=c1nc(O)ccn1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0200435" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "ONTLACKXRRROMY-UHFFFAOYSA-N": { "inchikey": "ONTLACKXRRROMY-UHFFFAOYSA-N", "inchikey2D": "ONTLACKXRRROMY", "names": [ "3a,6,6,9a,11a-pentamethyl-1-[1-(4-methylfuran-2-yl)-1-oxopropan-2-yl]-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H42O3", "smiles": "Cc1coc(C(=O)C(C)C2CCC3(C)C4=C(CCC23C)C2(C)CCC(=O)C(C)(C)C2CC4)c1", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0202238" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "NETRDFQDGLCLGK-UHTWSYAYSA-N": { "inchikey": "NETRDFQDGLCLGK-UHTWSYAYSA-N", "inchikey2D": "NETRDFQDGLCLGK", "names": [ "Tremuladienol", "[(5s,8s,8as)-2,2,8-trimethyl-4-methylidene-1,5,6,7,8,8a-hexahydroazulen-5-yl]methanol" ], "molecular_formula": "C15H24O", "smiles": "C=C1C2=CC(C)(C)C[C@H]2[C@@H](C)CC[C@@H]1CO", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0044163", "npaid": "NPA013816" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "RYWMKAMLWXSVJC-XVHVLHHCSA-N": { "inchikey": "RYWMKAMLWXSVJC-XVHVLHHCSA-N", "inchikey2D": "RYWMKAMLWXSVJC", "names": [ "4-[(1e)-2-[(1s,6s)-2,2,6-trimethyl-5-oxocyclohexyl]ethenyl]-5h-furan-2-one", "Phellinone" ], "molecular_formula": "C15H20O3", "smiles": "C[C@@H]1C(=O)CCC(C)(C)[C@H]1/C=C/C1=CC(=O)OC1", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0038708", "npaid": "NPA000639" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "FNYDGJUOSXPBRL-HNQUOIGGSA-N": { "inchikey": "FNYDGJUOSXPBRL-HNQUOIGGSA-N", "inchikey2D": "FNYDGJUOSXPBRL", "names": [ "phelligridin g" ], "molecular_formula": "C32H18O12", "smiles": "O=C1C=C(/C=C/c2ccc(O)c(O)c2)OC12C(c1cc3oc(=O)c4cc(O)c(O)cc4c3c(=O)o1)=Cc1cc(O)c(O)cc12", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0051214" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "TYWVGHJFBRRSAC-UHFFFAOYSA-N": { "inchikey": "TYWVGHJFBRRSAC-UHFFFAOYSA-N", "inchikey2D": "TYWVGHJFBRRSAC", "names": [ "9b-hydroxy-1-(3-hydroxy-6-methyl-5-methylideneheptan-2-yl)-3a,6,6,9a,11a-pentamethyl-decahydroindeno[2,1-f]azulene-4,7-dione" ], "molecular_formula": "C31H50O4", "smiles": "C=C(CC(O)C(C)C1CCC2(C)C(=O)C3CC4C(C)(C)C(=O)CCC4(C)C3(O)CCC12C)C(C)C", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0191073" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "KAHAKMSPIVIBRW-NLRBGTRBSA-N": { "inchikey": "KAHAKMSPIVIBRW-NLRBGTRBSA-N", "inchikey2D": "KAHAKMSPIVIBRW", "names": [ "(+)-(3S,6R,7R,10S)-tremul-1-ene-6,10,12-triol", "(1s,3ar,4r,7s)-7-(hydroxymethyl)-2,2,4,8-tetramethyl-1,3,3a,5,6,7-hexahydroazulene-1,4-diol" ], "molecular_formula": "C15H26O3", "smiles": "CC1=C2[C@@H](O)C(C)(C)C[C@H]2[C@](C)(O)CC[C@@H]1CO", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0035205", "npaid": "NPA003027" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "VNDGSRHWEWETAM-UHFFFAOYSA-N": { "inchikey": "VNDGSRHWEWETAM-UHFFFAOYSA-N", "inchikey2D": "VNDGSRHWEWETAM", "names": [ "9a-hydroxy-6,8,8-trimethyl-1h,4h,5h,6h,6ah,7h,9h-azuleno[4,5-c]furan-3-one" ], "molecular_formula": "C15H22O3", "smiles": "CC1CCC2=C(COC2=O)C2(O)CC(C)(C)CC12", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0244799" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "KNOYIRAECGPNAK-XIOBDQBBSA-N": { "inchikey": "KNOYIRAECGPNAK-XIOBDQBBSA-N", "inchikey2D": "KNOYIRAECGPNAK", "names": [ "(3as,5ar,6r,8ar)-3a-hydroxy-6-[(2r,5r)-6-hydroxy-5-(hydroxymethyl)-6-methylhept-3-en-2-yl]-5a-methyl-4h,5h,6h,7h,8h,8ah-indeno[5,4-b]furan-2-one", "Phellinignincisterol C" ], "molecular_formula": "C21H32O5", "smiles": "C[C@H](C=C[C@H](CO)C(C)(C)O)[C@H]1CC[C@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0184989", "npaid": "NPA013313" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "SCNVZHXBWGDYGK-PZDNYWHUSA-N": { "inchikey": "SCNVZHXBWGDYGK-PZDNYWHUSA-N", "inchikey2D": "SCNVZHXBWGDYGK", "names": [ "(1r,3ar,5as,6s,9as,11ar)-1-[(2s,3r)-3-hydroxy-6-methyl-5-methylideneheptan-2-yl]-3a,6,9a,11a-tetramethyl-1h,2h,3h,4h,5h,5ah,6h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one", "Gilvsin C" ], "molecular_formula": "C30H48O2", "smiles": "C=C(C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3)C(C)C", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0187381", "npaid": "NPA009342" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "SWZHEXQWHYRGEY-UHFFFAOYSA-N": { "inchikey": "SWZHEXQWHYRGEY-UHFFFAOYSA-N", "inchikey2D": "SWZHEXQWHYRGEY", "names": [ "6-hydroxy-4,5-dimethoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),9,11-tetraen-3-one" ], "molecular_formula": "C14H14O5", "smiles": "COC1C(=O)c2c(oc3ccccc23)C(O)C1OC", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0059702" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "OSWPMRLSEDHDFF-UHFFFAOYSA-N": { "inchikey": "OSWPMRLSEDHDFF-UHFFFAOYSA-N", "inchikey2D": "OSWPMRLSEDHDFF", "names": [ "methyl salicylate" ], "molecular_formula": "C8H8O3", "smiles": "COC(=O)c1ccccc1O", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0128373" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "DBEFMCCAWQYJLP-UHFFFAOYSA-N": { "inchikey": "DBEFMCCAWQYJLP-UHFFFAOYSA-N", "inchikey2D": "DBEFMCCAWQYJLP", "names": [ "8-ethyl-7-(hydroxymethyl)-2,2,4-trimethyl-1,3,3a,5,6,7-hexahydroazulene-1,4-diol" ], "molecular_formula": "C16H28O3", "smiles": "CCC1=C2C(O)C(C)(C)CC2C(C)(O)CCC1CO", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0059879" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "VTGQZIHVIHQHGP-UHFFFAOYSA-N": { "inchikey": "VTGQZIHVIHQHGP-UHFFFAOYSA-N", "inchikey2D": "VTGQZIHVIHQHGP", "names": [ "2-{2-[1-hydroxy-1-(4-methylcyclohex-3-en-1-yl)ethyl]cyclopropyl}propan-2-ol" ], "molecular_formula": "C15H26O2", "smiles": "CC1=CCC(C(C)(O)C2CC2C(C)(C)O)CC1", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0008141" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "SDJYPLYGBCMOGL-UHFFFAOYSA-N": { "inchikey": "SDJYPLYGBCMOGL-UHFFFAOYSA-N", "inchikey2D": "SDJYPLYGBCMOGL", "names": [ "3-[1-(3,4-dihydroxyphenyl)-3-hydroxy-5-oxohexa-1,3-dien-2-yl]-6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxypyran-2-one" ], "molecular_formula": "C25H20O9", "smiles": "CC(=O)C=C(O)C(=Cc1ccc(O)c(O)c1)c1c(O)cc(C=Cc2ccc(O)c(O)c2)oc1=O", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0001174" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "LDTVSIZNVSZWDV-DSJLGJJVSA-N": { "inchikey": "LDTVSIZNVSZWDV-DSJLGJJVSA-N", "inchikey2D": "LDTVSIZNVSZWDV", "names": [ "(2's,3'r)-2'-(3,4-dihydroxyphenyl)-4-hydroxy-6-[(1e)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-6'-methyl-2',3'-dihydro-[3,3'-bipyran]-2,4'-dione", "Methyldavallialactone" ], "molecular_formula": "C26H22O9", "smiles": "COc1cc(/C=C/c2cc(O)c([C@H]3C(=O)C=C(C)O[C@@H]3c3ccc(O)c(O)c3)c(=O)o2)ccc1O", "species": [ "[npatlas-query] Inonotus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0054343", "npaid": "NPA019250" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Phellinus==Phellinus" ] }, "ONQOQEBOMCDRPX-DUXPYHPUSA-N": { "inchikey": "ONQOQEBOMCDRPX-DUXPYHPUSA-N", "inchikey2D": "ONQOQEBOMCDRPX", "names": [ "methyl 6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-carboxylate" ], "molecular_formula": "C15H12O7", "smiles": "COC(=O)c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0262258" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "SMLKYYVQXIKCAM-UHFFFAOYSA-N": { "inchikey": "SMLKYYVQXIKCAM-UHFFFAOYSA-N", "inchikey2D": "SMLKYYVQXIKCAM", "names": [ "6,10-dihydroxy-4,5-dimethoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),9,11-tetraen-3-one" ], "molecular_formula": "C14H14O6", "smiles": "COC1C(=O)c2c(oc3c(O)cccc23)C(O)C1OC", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0060419" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "ZTYVCEZGXCLVBN-KIFYNCCSSA-N": { "inchikey": "ZTYVCEZGXCLVBN-KIFYNCCSSA-N", "inchikey2D": "ZTYVCEZGXCLVBN", "names": [ "3-[(4r,5s,6r)-7,7-dimethyl-3-oxatricyclo[4.4.0.0¹,⁵]decan-4-yl]but-2-enoic acid", "Phellilin C" ], "molecular_formula": "C15H22O3", "smiles": "CC(=CC(=O)O)[C@@H]1OCC23CCCC(C)(C)[C@H]2[C@H]13", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0031940", "npaid": "NPA013679" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "RYWMKAMLWXSVJC-UHFFFAOYSA-N": { "inchikey": "RYWMKAMLWXSVJC-UHFFFAOYSA-N", "inchikey2D": "RYWMKAMLWXSVJC", "names": [ "4-[2-(2,2,6-trimethyl-5-oxocyclohexyl)ethenyl]-5h-furan-2-one" ], "molecular_formula": "C15H20O3", "smiles": "CC1C(=O)CCC(C)(C)C1C=CC1=CC(=O)OC1", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0065068" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "SESLBPIXVOYQJJ-UHFFFAOYSA-N": { "inchikey": "SESLBPIXVOYQJJ-UHFFFAOYSA-N", "inchikey2D": "SESLBPIXVOYQJJ", "names": [ "octadecyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate" ], "molecular_formula": "C28H46O4", "smiles": "CCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(OC)c1", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0273840" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "XDRODHLVFJLYRJ-STQMWFEESA-N": { "inchikey": "XDRODHLVFJLYRJ-STQMWFEESA-N", "inchikey2D": "XDRODHLVFJLYRJ", "names": [ "5-[(1s,3s)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpenta-2,4-dienoic acid", "Phellinulin E" ], "molecular_formula": "C15H22O3", "smiles": "C=C1CC[C@H](O)C(C)(C)[C@H]1C=CC(C)=CC(=O)O", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0016793", "npaid": "NPA027944" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "KJLCZLBABYCKPW-UHFFFAOYSA-N": { "inchikey": "KJLCZLBABYCKPW-UHFFFAOYSA-N", "inchikey2D": "KJLCZLBABYCKPW", "names": [ "6-(5,6-dihydroxy-5,6-dimethylhept-3-en-2-yl)-8a-hydroxy-5a-methyl-3ah,4h,5h,6h,7h,8h-indeno[5,4-b]furan-2-one" ], "molecular_formula": "C21H32O5", "smiles": "CC(C=CC(C)(O)C(C)(C)O)C1CCC2(O)C3=CC(=O)OC3CCC12C", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0015673" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "SDJYPLYGBCMOGL-RRAWIICHSA-N": { "inchikey": "SDJYPLYGBCMOGL-RRAWIICHSA-N", "inchikey2D": "SDJYPLYGBCMOGL", "names": [ "3-[(1z,3z)-1-(3,4-dihydroxyphenyl)-3-hydroxy-5-oxohexa-1,3-dien-2-yl]-6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxypyran-2-one", "Interfungin A" ], "molecular_formula": "C25H20O9", "smiles": "CC(=O)/C=C(O)/C(=C\\c1ccc(O)c(O)c1)c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O", "species": [ "[npatlas-query] Inonotus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0009862", "npaid": "NPA003434" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Inonotus==Inonotus", "INCLUDE:Phellinus==Phellinus" ] }, "WGEZRSYMRXPKPN-ZDUSSCGKSA-N": { "inchikey": "WGEZRSYMRXPKPN-ZDUSSCGKSA-N", "inchikey2D": "WGEZRSYMRXPKPN", "names": [ "5-[(1r)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-enoic acid", "Phellinulin J" ], "molecular_formula": "C15H24O2", "smiles": "C=C1CCCC(C)(C)[C@H]1CCC(C)=CC(=O)O", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0010433", "npaid": "NPA027939" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "KAHAKMSPIVIBRW-UHFFFAOYSA-N": { "inchikey": "KAHAKMSPIVIBRW-UHFFFAOYSA-N", "inchikey2D": "KAHAKMSPIVIBRW", "names": [ "7-(hydroxymethyl)-2,2,4,8-tetramethyl-1,3,3a,5,6,7-hexahydroazulene-1,4-diol" ], "molecular_formula": "C15H26O3", "smiles": "CC1=C2C(O)C(C)(C)CC2C(C)(O)CCC1CO", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0034208" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "ODCSFCQFCURYEG-UHFFFAOYSA-N": { "inchikey": "ODCSFCQFCURYEG-UHFFFAOYSA-N", "inchikey2D": "ODCSFCQFCURYEG", "names": [ "7-phenylhept-4-en-3-one" ], "molecular_formula": "C13H16O", "smiles": "CCC(=O)C=CCCc1ccccc1", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0057209" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "WYUFTYLVLQZQNH-YTWDBIDXSA-N": { "inchikey": "WYUFTYLVLQZQNH-YTWDBIDXSA-N", "inchikey2D": "WYUFTYLVLQZQNH", "names": [ "(3s,4r,5r,6s)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol" ], "molecular_formula": "C8H16O6", "smiles": "CCOC1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0016629" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "WSHSQJSPOLYHLM-YMILTQATSA-N": { "inchikey": "WSHSQJSPOLYHLM-YMILTQATSA-N", "inchikey2D": "WSHSQJSPOLYHLM", "names": [ "scopolin" ], "molecular_formula": "C16H20O9", "smiles": "COc1cc2c(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CC2", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0014838" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "CPORQNGPHLLMIO-UHFFFAOYSA-N": { "inchikey": "CPORQNGPHLLMIO-UHFFFAOYSA-N", "inchikey2D": "CPORQNGPHLLMIO", "names": [ "2,4-dichloro-3-methoxy-5,6-bis(2,3,5,6-tetrachloro-4-methoxyphenoxy)phenol", "Chlorophellin B" ], "molecular_formula": "C21H10Cl10O6", "smiles": "COc1c(Cl)c(Cl)c(Oc2c(O)c(Cl)c(OC)c(Cl)c2Oc2c(Cl)c(Cl)c(OC)c(Cl)c2Cl)c(Cl)c1Cl", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0006689", "npaid": "NPA018399" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "KYFXISLAEBFZFO-UHFFFAOYSA-N": { "inchikey": "KYFXISLAEBFZFO-UHFFFAOYSA-N", "inchikey2D": "KYFXISLAEBFZFO", "names": [ "2'-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-6'-methyl-2',3'-dihydro-[3,3'-bipyran]-2,4'-dione" ], "molecular_formula": "C25H20O9", "smiles": "CC1=CC(=O)C(c2c(O)cc(C=Cc3ccc(O)c(O)c3)oc2=O)C(c2ccc(O)c(O)c2)O1", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0006533" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "JUOUMVXQBLYLLZ-UHFFFAOYSA-N": { "inchikey": "JUOUMVXQBLYLLZ-UHFFFAOYSA-N", "inchikey2D": "JUOUMVXQBLYLLZ", "names": [ "26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1³,⁷.1¹⁰,¹⁴.1¹⁷,²¹.0²⁴,²⁹]octatriacontane-4,6,11,13,18,20,27,28,34,35-decol" ], "molecular_formula": "C38H64O29", "smiles": "COC1C(O)C2COC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(COC(O2)C1O)C(O)C(OC1OC(C)C(O)C(O)C1O)C5O)C(O)C4O)C(O)C(OC)C3O", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0016877" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "HCUSHIWVGLUDLU-UHFFFAOYSA-N": { "inchikey": "HCUSHIWVGLUDLU-UHFFFAOYSA-N", "inchikey2D": "HCUSHIWVGLUDLU", "names": [ "2'-acetyl-5-[2-(3,4-dihydroxyphenyl)ethenyl]-5',6'-dihydroxyspiro[furan-2,1'-inden]-3-one" ], "molecular_formula": "C22H16O7", "smiles": "CC(=O)C1=Cc2cc(O)c(O)cc2C12OC(C=Cc1ccc(O)c(O)c1)=CC2=O", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0003334" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "ONTLACKXRRROMY-XKTJUQAYSA-N": { "inchikey": "ONTLACKXRRROMY-XKTJUQAYSA-N", "inchikey2D": "ONTLACKXRRROMY", "names": [ "(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2s)-1-(4-methylfuran-2-yl)-1-oxopropan-2-yl]-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one" ], "molecular_formula": "C30H42O3", "smiles": "Cc1coc(C(=O)[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)c1", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0055361" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "QBWSVZLAABDSMD-UHFFFAOYSA-N": { "inchikey": "QBWSVZLAABDSMD-UHFFFAOYSA-N", "inchikey2D": "QBWSVZLAABDSMD", "names": [ "1-Phenylheptane-1,5-dione", "1-phenylheptane-1,5-dione" ], "molecular_formula": "C13H16O2", "smiles": "CCC(=O)CCCC(=O)c1ccccc1", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0056120", "npaid": "NPA012018" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "NNWAYAOFBKDQIA-XKLJGBPTSA-N": { "inchikey": "NNWAYAOFBKDQIA-XKLJGBPTSA-N", "inchikey2D": "NNWAYAOFBKDQIA", "names": [ "(1r,3ar,6s,9as,11ar)-1-[(2s,3r)-3-hydroxy-6-methyl-5-methylideneheptan-2-yl]-3a,6,9a,11a-tetramethyl-1h,2h,3h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-7-one", "Igniaren A" ], "molecular_formula": "C30H46O2", "smiles": "C=C(C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CCC4[C@H](C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0261241", "npaid": "NPA004157" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "ZCXYXOFYJSKIHR-STQMWFEESA-N": { "inchikey": "ZCXYXOFYJSKIHR-STQMWFEESA-N", "inchikey2D": "ZCXYXOFYJSKIHR", "names": [ "5-[(1r,4r)-4-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-enoic acid", "Phellinulin L" ], "molecular_formula": "C15H24O3", "smiles": "C=C1C[C@H](O)CC(C)(C)[C@H]1CCC(C)=CC(=O)O", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0231908", "npaid": "NPA027941" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "MHAYDOHKEQXCEG-UHFFFAOYSA-N": { "inchikey": "MHAYDOHKEQXCEG-UHFFFAOYSA-N", "inchikey2D": "MHAYDOHKEQXCEG", "names": [ "1,7-dihydroxy-1-(1-hydroxyethyl)-6,9a,11a-trimethyl-2h,3h,3ah,5h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one" ], "molecular_formula": "C22H34O4", "smiles": "CC1C(O)CCC2(C)C3=C(C(=O)CC12)C1CCC(O)(C(C)O)C1(C)CC3", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0026989" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "DPLUBJMWMWJWLE-HPGAYVIXSA-N": { "inchikey": "DPLUBJMWMWJWLE-HPGAYVIXSA-N", "inchikey2D": "DPLUBJMWMWJWLE", "names": [ "(3as,5ar,6r,8as)-8a-hydroxy-6-[(2r,5r)-6-hydroxy-5-(hydroxymethyl)-6-methylhept-3-en-2-yl]-5a-methyl-3ah,4h,5h,6h,7h,8h-indeno[5,4-b]furan-2-one", "Phellinignincisterol A" ], "molecular_formula": "C21H32O5", "smiles": "C[C@H](C=C[C@H](CO)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)O[C@H]3CC[C@]12C", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0080612", "npaid": "NPA011529" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "JBCTUOAHMOVMOD-CQROYNQRSA-N": { "inchikey": "JBCTUOAHMOVMOD-CQROYNQRSA-N", "inchikey2D": "JBCTUOAHMOVMOD", "names": [ "(3ar,4r,7s,8s)-7,8-bis(hydroxymethyl)-2,2,4-trimethyl-3,3a,5,6,7,8-hexahydroazulen-4-ol", 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"OIVDIVRTEKNHDH-BJMVGYQFSA-N", "inchikey2D": "OIVDIVRTEKNHDH", "names": [ "(4e)-2-(3,4-dihydroxyphenyl)-4-[(3,4-dihydroxyphenyl)methylidene]-5-oxooxolane-3-carboxylic acid", "Phellinsin A" ], "molecular_formula": "C18H14O8", "smiles": "O=C1OC(c2ccc(O)c(O)c2)C(C(=O)O)/C1=C\\c1ccc(O)c(O)c1", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0176180", "npaid": "NPA014897" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "CGMQDMKDINCGOB-AMRCMGIWSA-N": { "inchikey": "CGMQDMKDINCGOB-AMRCMGIWSA-N", "inchikey2D": "CGMQDMKDINCGOB", "names": [ "6-[(2r,3r)-2-(3,4-dihydroxyphenyl)-6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-oxo-2h,3h-furo[3,2-c]pyran-3-yl]-4-hydroxypyran-2-one" ], "molecular_formula": "C26H18O10", "smiles": "O=c1cc(O)cc([C@@H]2c3c(cc(/C=C/c4ccc(O)c(O)c4)oc3=O)O[C@H]2c2ccc(O)c(O)c2)o1", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0115748" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "MBZYKEVPFYHDOH-BQNIITSRSA-N": { "inchikey": "MBZYKEVPFYHDOH-BQNIITSRSA-N", "inchikey2D": "MBZYKEVPFYHDOH", "names": [ "24,25-dihydrolanosterol" ], "molecular_formula": "C30H52O", "smiles": "CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3", "species": [ "[query-hint] Phellinus", "[query-hint] Wolfiporia" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0252460" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Wolfiporia==Wolfiporia" ] }, "SUMICAUIGCVDPI-UHFFFAOYSA-N": { "inchikey": "SUMICAUIGCVDPI-UHFFFAOYSA-N", "inchikey2D": "SUMICAUIGCVDPI", "names": [ "2-hydroxy-n-(1,3,4-trihydroxyoctadecan-2-yl)triacontanimidic acid" ], "molecular_formula": "C48H97NO5", "smiles": 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"(2r)-2-[(1r,3ar,5as,9as,11ar)-3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid" ], "molecular_formula": "C30H46O3", "smiles": "CC(C)=CCC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0271752" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "YGMHESVEXXRCKR-WUXMJOGZSA-N": { "inchikey": "YGMHESVEXXRCKR-WUXMJOGZSA-N", "inchikey2D": "YGMHESVEXXRCKR", "names": [ "(4e)-4-[(3,4-dihydroxyphenyl)methylidene]-2-(3-hydroxy-4-methylphenyl)-5-oxooxolane-3-carboxylic acid" ], "molecular_formula": "C19H16O7", "smiles": "Cc1ccc(C2OC(=O)/C(=C/c3ccc(O)c(O)c3)C2C(=O)O)cc1O", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0262957" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "SJVTTXIXXHXZLO-KKXNBBPWSA-N": { "inchikey": "SJVTTXIXXHXZLO-KKXNBBPWSA-N", "inchikey2D": "SJVTTXIXXHXZLO", "names": [ "(2s)-7-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-2-{2-[(1r)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl}-2-methylpyrano[3,2-c]pyran-5-one", "Phellinin A1" ], "molecular_formula": "C28H32O5", "smiles": "C=C1CCCC(C)(C)[C@H]1CC[C@@]1(C)C=Cc2c(cc(/C=C/c3ccc(O)c(O)c3)oc2=O)O1", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0177488", "npaid": "NPA006891" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "CECREIRZLPLYDM-QGZVKYPTSA-N": { "inchikey": "CECREIRZLPLYDM-QGZVKYPTSA-N", "inchikey2D": "CECREIRZLPLYDM", "names": [ "manool" ], "molecular_formula": "C20H34O", "smiles": "C=C[C@](C)(O)CC[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0240363" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "UECXJQGVBNBOBM-UHFFFAOYSA-N": { "inchikey": "UECXJQGVBNBOBM-UHFFFAOYSA-N", "inchikey2D": "UECXJQGVBNBOBM", "names": [ "2-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}propanoic acid" ], "molecular_formula": "C25H38O3", "smiles": "CC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0233814" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "AVRSGNZNZIKDCF-UHFFFAOYSA-N": { "inchikey": "AVRSGNZNZIKDCF-UHFFFAOYSA-N", "inchikey2D": "AVRSGNZNZIKDCF", "names": [ "6-[2-(3,4-dihydroxyphenyl)ethenyl]-3-(1-{6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}ethyl)-4-hydroxypyran-2-one" ], "molecular_formula": "C28H22O10", "smiles": "CC(c1c(O)cc(C=Cc2ccc(O)c(O)c2)oc1=O)c1c(O)cc(C=Cc2ccc(O)c(O)c2)oc1=O", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0062942" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "SUMICAUIGCVDPI-NSGMLZANSA-N": { "inchikey": "SUMICAUIGCVDPI-NSGMLZANSA-N", "inchikey2D": "SUMICAUIGCVDPI", "names": [ "2-hydroxy-n-[(2s,3s,4r)-1,3,4-trihydroxyoctadecan-2-yl]triacontanimidic acid", "N-(2'-hydroxytriacontanoyl)-D-erythro-l,3,4-trihydroxy-2-amino-octadecane," ], "molecular_formula": "C48H97NO5", "smiles": "CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC", "species": [ "[npatlas-query] Phellinus", "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0084973", "npaid": "NPA010191" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus", "INCLUDE:Phellinus==Phellinus" ] }, "UNMKHLMLPLRZMC-RLMBPSSXSA-N": { "inchikey": "UNMKHLMLPLRZMC-RLMBPSSXSA-N", "inchikey2D": "UNMKHLMLPLRZMC", "names": [ "(2s,5r,10r,13r,14r)-13-[(2s)-6-carboxy-6-hydroxy-6-methyl-3-oxohexan-2-yl]-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid" ], "molecular_formula": "C29H44O6", "smiles": "C[C@H](C(=O)CCC(C)(O)C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@](C)(C(=O)O)C1CC3", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0198056" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "YQLWKYQDOQEWRD-UHFFFAOYSA-N": { "inchikey": "YQLWKYQDOQEWRD-UHFFFAOYSA-N", "inchikey2D": "YQLWKYQDOQEWRD", "names": [ "5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol" ], "molecular_formula": "C7H12O5", "smiles": "OCC1C(O)C(O)C(O)C2OC12", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0231735" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "SJVTTXIXXHXZLO-UHFFFAOYSA-N": { "inchikey": "SJVTTXIXXHXZLO-UHFFFAOYSA-N", "inchikey2D": "SJVTTXIXXHXZLO", "names": [ "7-[2-(3,4-dihydroxyphenyl)ethenyl]-2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-methylpyrano[3,2-c]pyran-5-one" ], "molecular_formula": "C28H32O5", "smiles": "C=C1CCCC(C)(C)C1CCC1(C)C=Cc2c(cc(C=Cc3ccc(O)c(O)c3)oc2=O)O1", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0230844" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "RWJGQGLUCXVLMN-VPHRMDQISA-N": { "inchikey": "RWJGQGLUCXVLMN-VPHRMDQISA-N", "inchikey2D": "RWJGQGLUCXVLMN", "names": [ "(2s,3s,6r)-6-(2-hydroxy-6-methylhept-5-en-2-yl)-2-(hydroxymethyl)-3-methyloxan-3-ol", "Phellinuin H" ], "molecular_formula": "C15H28O4", "smiles": "CC(C)=CCCC(C)(O)[C@H]1CC[C@](C)(O)[C@H](CO)O1", 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"VTFWGFWAVPVIAA", "names": [ "[(3s)-3,5-diphenylhex-5-en-1-yl]benzene" ], "molecular_formula": "C24H24", "smiles": "C=C(C[C@H](CCc1ccccc1)c1ccccc1)c1ccccc1", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0038440" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "NFWKVWVWBFBAOV-UHFFFAOYSA-N": { "inchikey": "NFWKVWVWBFBAOV-UHFFFAOYSA-N", "inchikey2D": "NFWKVWVWBFBAOV", "names": [ "dehydroabietic acid" ], "molecular_formula": "C20H28O2", "smiles": "CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C", "species": [ "[query-hint] Phellinus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0034017" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Phellinus==Phellinus" ] }, "CGVSVWWXNAFRRH-UHFFFAOYSA-N": { "inchikey": "CGVSVWWXNAFRRH-UHFFFAOYSA-N", "inchikey2D": "CGVSVWWXNAFRRH", "names": [ "4-Vinylresorcinol", "4-ethenylbenzene-1,3-diol" ], "molecular_formula": 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"QNLOWBMKUIXCOW-UHFFFAOYSA-N", "inchikey2D": "QNLOWBMKUIXCOW", "names": [ "indol-2-one" ], "molecular_formula": "C8H5NO", "smiles": "O=C1C=c2ccccc2=N1", "species": [ "[query-hint] Pleurotus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0125607" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus" ] }, "YOAIPUXWHBBNOK-UHFFFAOYSA-N": { "inchikey": "YOAIPUXWHBBNOK-UHFFFAOYSA-N", "inchikey2D": "YOAIPUXWHBBNOK", "names": [ "methyl 2-(carbamoylformamido)-4-methylpentanoate" ], "molecular_formula": "C9H16N2O4", "smiles": "COC(=O)C(CC(C)C)NC(=O)C(N)=O", "species": [ "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0054476" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus ostreatus==Pleurotus" ] }, "HNICUWMFWZBIFP-SMJYZRPQSA-N": { "inchikey": "HNICUWMFWZBIFP-SMJYZRPQSA-N", "inchikey2D": "HNICUWMFWZBIFP", "names": [ "13-hydroxyoctadecadienoic acid" ], "molecular_formula": "C18H32O3", "smiles": "CCCCC[C@H](O)/C=C\\C=C\\CCCCCCCC(=O)O", "species": [ "[query-hint] Pleurotus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0129535" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus" ] }, "BPSGHORSQHEDJO-MYZSUADSSA-N": { "inchikey": "BPSGHORSQHEDJO-MYZSUADSSA-N", "inchikey2D": "BPSGHORSQHEDJO", "names": [ "(2r,6s,7r,7as)-6,7-dihydroxy-3,5',5',6-tetramethyl-4,5,7,7a-tetrahydrospiro[1-benzofuran-2,2'-oxolan]-3'-one", "Pleurospiroketal E" ], "molecular_formula": "C15H22O5", "smiles": "CC1=C2CC[C@](C)(O)[C@H](O)[C@H]2O[C@@]12OC(C)(C)CC2=O", "species": [ "[npatlas-query] Pleurotus", "[query-hint] Pleurotus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0129024", "npaid": "NPA003456" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus==Pleurotus" ] }, "CGGUBAHKCIBSDD-UHFFFAOYSA-N": { "inchikey": "CGGUBAHKCIBSDD-UHFFFAOYSA-N", "inchikey2D": "CGGUBAHKCIBSDD", "names": [ "6,7-dihydroxy-5',5',6-trimethyl-3-methylidene-tetrahydro-3ah-spiro[1-benzofuran-2,2'-oxolan]-3'-one" ], "molecular_formula": "C15H22O5", "smiles": "C=C1C2CCC(C)(O)C(O)C2OC12OC(C)(C)CC2=O", "species": [ "[query-hint] Pleurotus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0101711" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus" ] }, "ORJCVBFQWXNRJY-UHFFFAOYSA-N": { "inchikey": "ORJCVBFQWXNRJY-UHFFFAOYSA-N", "inchikey2D": "ORJCVBFQWXNRJY", "names": [ "15-(5,6-dimethylheptan-2-yl)-6,11-dihydroxy-9,16-dimethyl-3-oxapentacyclo[9.7.0.0²,⁴.0⁴,⁹.0¹²,¹⁶]octadecan-10-one" ], "molecular_formula": "C28H46O4", "smiles": "CC(C)C(C)CCC(C)C1CCC2C1(C)CCC1C3OC34CC(O)CCC4(C)C(=O)C12O", "species": [ "[query-hint] Pleurotus", "[query-hint] Pleurotus eryngii" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0227294" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus eryngii==Pleurotus eryngii" ] }, "QCXQZXGUFOMZPQ-UHFFFAOYSA-N": { "inchikey": "QCXQZXGUFOMZPQ-UHFFFAOYSA-N", "inchikey2D": "QCXQZXGUFOMZPQ", "names": [ "5-Hydroxy-3,4,5-trimethylfuran-2(5H)-one", "5-hydroxy-3,4,5-trimethylfuran-2-one" ], "molecular_formula": "C7H10O3", "smiles": "CC1=C(C)C(C)(O)OC1=O", "species": [ "[npatlas-query] Pleurotus", "[query-hint] Pleurotus", "[query-hint] Pleurotus eryngii" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0212434", "npaid": "NPA000211" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus eryngii==Pleurotus eryngii" ] }, "BOBBZFTUXXNHKK-GYTXUWGBSA-N": { "inchikey": "BOBBZFTUXXNHKK-GYTXUWGBSA-N", "inchikey2D": "BOBBZFTUXXNHKK", "names": [ 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"external_ids": { "lotus_id": "LTS0205496", "npaid": "NPA024254" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus eryngii==Pleurotus eryngii" ] }, "ODHCTXKNWHHXJC-VKHMYHEASA-N": { "inchikey": "ODHCTXKNWHHXJC-VKHMYHEASA-N", "inchikey2D": "ODHCTXKNWHHXJC", "names": [ "pyroglutamic acid" ], "molecular_formula": "C5H7NO3", "smiles": "O=C(O)[C@@H]1CCC(O)=N1", "species": [ "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus", "[query-hint] Russula" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0142947" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus ostreatus==Pleurotus", "INCLUDE:Russula==Russula" ] }, "PVOXMLZUXQNIHC-WFLQLWEZSA-N": { "inchikey": "PVOXMLZUXQNIHC-WFLQLWEZSA-N", "inchikey2D": "PVOXMLZUXQNIHC", "names": [ 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"toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus ostreatus==Pleurotus" ] }, "ORJCVBFQWXNRJY-BNMVFICBSA-N": { "inchikey": "ORJCVBFQWXNRJY-BNMVFICBSA-N", "inchikey2D": "ORJCVBFQWXNRJY", "names": [ "(1r,2s,4r,6s,9s,11s,12r,15r,16r)-15-[(2r,5s)-5,6-dimethylheptan-2-yl]-6,11-dihydroxy-9,16-dimethyl-3-oxapentacyclo[9.7.0.0²,⁴.0⁴,⁹.0¹²,¹⁶]octadecan-10-one", "Pleurocin B" ], "molecular_formula": "C28H46O4", "smiles": "CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@]3(O)C(=O)[C@@]4(C)CC[C@H](O)C[C@@]45O[C@H]5[C@H]3CC[C@]12C", "species": [ "[npatlas-query] Pleurotus", "[query-hint] Pleurotus", "[query-hint] Pleurotus eryngii" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0220286", "npaid": "NPA024252" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus eryngii==Pleurotus eryngii" ] }, "CEKDMLGHRPVOHS-SLDJXUKOSA-N": { "inchikey": 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"2-[(2-amino-1-hydroxyethylidene)amino]-n-{1-[(6-amino-1-{2-[(2-hydroxy-1-{[2-hydroxy-1-({2-hydroxy-1-[(2-hydroxy-1-{[1-(c-hydroxycarbonimidoyl)-2-methylpropyl]-c-hydroxycarbonimidoyl}propyl)-c-hydroxycarbonimidoyl]propyl}-c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}propyl)-c-hydroxycarbonimidoyl]pyrrolidin-1-yl}-1-oxohexan-2-yl)-c-hydroxycarbonimidoyl]pentyl}butanediimidic acid" ], "molecular_formula": "C44H79N13O15", "smiles": "CCCCC(N=C(O)C(CC(=N)O)N=C(O)CN)C(O)=NC(CCCCN)C(=O)N1CCCC1C(O)=NC(C(O)=NC(C(O)=NC(C(O)=NC(C(O)=NC(C(=N)O)C(C)C)C(C)O)C(C)O)C(C)O)C(C)O", "species": [ "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0116510" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus ostreatus==Pleurotus" ] }, "VIMUSKOFFVWSQJ-BXEYMJOASA-N": { "inchikey": "VIMUSKOFFVWSQJ-BXEYMJOASA-N", "inchikey2D": "VIMUSKOFFVWSQJ", "names": [ "(3ar,4s,5r,8s,8br)-5,7,7-trimethyl-1-methylidene-2h,4h,5h,6h,8h-indeno[5,4-b]furan-3a,4,8,8b-tetrol", "Clitocybulol D" ], "molecular_formula": "C15H22O5", "smiles": "C=C1CO[C@]2(O)[C@@H](O)[C@H](C)C3=C([C@@H](O)C(C)(C)C3)[C@]12O", "species": [ "[npatlas-query] Pleurotus", "[query-hint] Pleurotus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0014117", "npaid": "NPA014782" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus==Pleurotus" ] }, "BHDMCKRBTNLIGX-RJLSYHOWSA-N": { "inchikey": "BHDMCKRBTNLIGX-RJLSYHOWSA-N", "inchikey2D": "BHDMCKRBTNLIGX", "names": [ "(1r,2s,4r,6s,9s,11s,12r,15r,16r)-15-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-6,11-dihydroxy-9,16-dimethyl-3-oxapentacyclo[9.7.0.0²,⁴.0⁴,⁹.0¹²,¹⁶]octadecan-10-one", "Pleurocin A" ], "molecular_formula": "C28H44O4", "smiles": "CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]3(O)C(=O)[C@@]4(C)CC[C@H](O)C[C@@]45O[C@H]5[C@H]3CC[C@]12C", "species": [ 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"INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus eryngii==Pleurotus eryngii" ] }, "WOOGXTMIIGJREK-UHFFFAOYSA-N": { "inchikey": "WOOGXTMIIGJREK-UHFFFAOYSA-N", "inchikey2D": "WOOGXTMIIGJREK", "names": [ "1-(5,6-dimethylhept-3-en-2-yl)-5a,7-dihydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,5h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate" ], "molecular_formula": "C30H48O4", "smiles": "CC(=O)OC1C=C2C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC2C2(C)CCC(O)CC12O", "species": [ "[query-hint] Pleurotus", "[query-hint] Pleurotus eryngii" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0049403" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus eryngii==Pleurotus eryngii" ] }, "FZQPPKMMRLLOJG-VIFPVBQESA-N": { "inchikey": "FZQPPKMMRLLOJG-VIFPVBQESA-N", "inchikey2D": "FZQPPKMMRLLOJG", "names": [ "Oxalamido-L-phenylalanine methyl ester", "methyl (2s)-2-(carbamoylformamido)-3-phenylpropanoate" ], "molecular_formula": "C12H14N2O4", "smiles": "COC(=O)[C@H](Cc1ccccc1)NC(=O)C(N)=O", "species": [ "[npatlas-query] Pleurotus", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0251003", "npaid": "NPA024189" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus ostreatus==Pleurotus" ] }, "BHDMCKRBTNLIGX-UHFFFAOYSA-N": { "inchikey": "BHDMCKRBTNLIGX-UHFFFAOYSA-N", "inchikey2D": "BHDMCKRBTNLIGX", "names": [ "15-(5,6-dimethylhept-3-en-2-yl)-6,11-dihydroxy-9,16-dimethyl-3-oxapentacyclo[9.7.0.0²,⁴.0⁴,⁹.0¹²,¹⁶]octadecan-10-one" ], "molecular_formula": "C28H44O4", "smiles": "CC(C)C(C)C=CC(C)C1CCC2C1(C)CCC1C3OC34CC(O)CCC4(C)C(=O)C12O", "species": [ "[query-hint] Pleurotus", "[query-hint] Pleurotus eryngii" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0112365" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ 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"LTS0045706", "npaid": "NPA018904" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus ostreatus==Pleurotus" ] }, "YTTLBEKULJETJA-UHFFFAOYSA-N": { "inchikey": "YTTLBEKULJETJA-UHFFFAOYSA-N", "inchikey2D": "YTTLBEKULJETJA", "names": [ "(E)-6-((2-amino-4,5-dimethylphenyl)imino)dihydropyrimidine-2,4,5(3H)-trione", "4-[(2-amino-4,5-dimethylphenyl)imino]-2,6-dihydroxypyrimidin-5-one" ], "molecular_formula": "C12H12N4O3", "smiles": "Cc1cc(N)c(N=C2N=C(O)N=C(O)C2=O)cc1C", "species": [ "[npatlas-query] Pleurotus", "[query-hint] Pleurotus", "[query-hint] Pleurotus ostreatus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0249534", "npaid": "NPA024190" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus==Pleurotus", "INCLUDE:Pleurotus ostreatus==Pleurotus" ] }, "VIMUSKOFFVWSQJ-UHFFFAOYSA-N": { "inchikey": "VIMUSKOFFVWSQJ-UHFFFAOYSA-N", "inchikey2D": "VIMUSKOFFVWSQJ", "names": [ "5,7,7-trimethyl-1-methylidene-2h,4h,5h,6h,8h-indeno[5,4-b]furan-3a,4,8,8b-tetrol" ], "molecular_formula": "C15H22O5", "smiles": "C=C1COC2(O)C(O)C(C)C3=C(C(O)C(C)(C)C3)C12O", "species": [ "[query-hint] Pleurotus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0018112" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Pleurotus==Pleurotus" ] }, "RIUQIOHIZIJIQO-UHFFFAOYSA-N": { "inchikey": "RIUQIOHIZIJIQO-UHFFFAOYSA-N", "inchikey2D": "RIUQIOHIZIJIQO", "names": [ "1-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]propane-1,2,3-tricarboxylic acid" ], "molecular_formula": "C21H32O8", "smiles": "CC1=CCC2C(C)(C)C(O)CCC2(C)C1COC(C(=O)O)C(CC(=O)O)C(=O)O", "species": [ "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0135266" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Polyporus==Polyporus" ] }, "RIUQIOHIZIJIQO-OECSREOESA-N": { "inchikey": "RIUQIOHIZIJIQO-OECSREOESA-N", "inchikey2D": "RIUQIOHIZIJIQO", "names": [ "(1r,2s)-1-{[(1s,4ar,6s,8as)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy}propane-1,2,3-tricarboxylic acid", "Isocryptoporic acid I" ], "molecular_formula": "C21H32O8", "smiles": "CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CO[C@@H](C(=O)O)[C@H](CC(=O)O)C(=O)O", "species": [ "[npatlas-query] Polyporus", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0118281", "npaid": "NPA000642" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Polyporus==Polyporus", "INCLUDE:Polyporus==Polyporus" ] }, "PGTQRMPLONEWBV-YIBSWQHHSA-N": { "inchikey": "PGTQRMPLONEWBV-YIBSWQHHSA-N", "inchikey2D": "PGTQRMPLONEWBV", "names": [ "(1r,2s)-1-{[(1s,4as,8as)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy}propane-1,2,3-tricarboxylic acid", 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{ "lotus_id": "LTS0096517" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Polyporus==Polyporus" ] }, "OQDKHYZVFZGSRC-DWJOQFFMSA-N": { "inchikey": "OQDKHYZVFZGSRC-DWJOQFFMSA-N", "inchikey2D": "OQDKHYZVFZGSRC", "names": [ "(1s,3as,5ar,7r,8s,9ar,9br,11ar)-1-[(2r,3r)-2,3-dihydroxy-6-methyl-5-methylideneheptan-2-yl]-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one" ], "molecular_formula": "C28H44O6", "smiles": "C=C(C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)C", "species": [ "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0073749" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Polyporus==Polyporus" ] }, "HHPPCGSBRMCORM-QTSUHJLRSA-N": { "inchikey": "HHPPCGSBRMCORM-QTSUHJLRSA-N", "inchikey2D": "HHPPCGSBRMCORM", "names": [ 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"LOTUS" ], "external_ids": { "lotus_id": "LTS0169590" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Polyporus==Polyporus" ] }, "JNJFLVMDOAOTGH-IAGXKZSMSA-N": { "inchikey": "JNJFLVMDOAOTGH-IAGXKZSMSA-N", "inchikey2D": "JNJFLVMDOAOTGH", "names": [ "(3as,5ar,7s,9as,9bs)-7-hydroxy-6,6,9a-trimethyl-octahydro-1h-naphtho[1,2-c]furan-3-one" ], "molecular_formula": "C15H24O3", "smiles": "CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3COC(=O)[C@H]3CC[C@@H]12", "species": [ "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0093680" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Polyporus==Polyporus" ] }, "JLIDBLDQVAYHNE-WEYXYWBQSA-N": { "inchikey": "JLIDBLDQVAYHNE-WEYXYWBQSA-N", "inchikey2D": "JLIDBLDQVAYHNE", "names": [ "abscisic acid, " ], "molecular_formula": "C15H20O4", "smiles": "CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)=C/C(=O)O", "species": [ "[query-hint] Polyporus", "[query-hint] Trametes", "[query-hint] Trametes versicolor" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0140631" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Polyporus==Polyporus", "INCLUDE:Trametes==Trametes", "INCLUDE:Trametes versicolor==Trametes versicolor" ] }, "UKMSUNONTOPOIO-UHFFFAOYSA-N": { "inchikey": "UKMSUNONTOPOIO-UHFFFAOYSA-N", "inchikey2D": "UKMSUNONTOPOIO", "names": [ "behenic acid" ], "molecular_formula": "C22H44O2", "smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)O", "species": [ "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0058784" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Polyporus==Polyporus" ] }, "JNJFLVMDOAOTGH-UHFFFAOYSA-N": { "inchikey": "JNJFLVMDOAOTGH-UHFFFAOYSA-N", "inchikey2D": "JNJFLVMDOAOTGH", "names": [ "7-hydroxy-6,6,9a-trimethyl-octahydro-1h-naphtho[1,2-c]furan-3-one" ], "molecular_formula": "C15H24O3", "smiles": "CC1(C)C(O)CCC2(C)C3COC(=O)C3CCC12", "species": [ "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0097881" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Polyporus==Polyporus" ] }, "RHWDQPXMKCQCKR-ZDEKDYBCSA-N": { "inchikey": "RHWDQPXMKCQCKR-ZDEKDYBCSA-N", "inchikey2D": "RHWDQPXMKCQCKR", "names": [ "(1r,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-1-[(3r,5r)-3-hydroxy-5,6-dimethylhept-1-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one" ], "molecular_formula": "C28H44O5", "smiles": "C=C([C@H](O)C[C@@H](C)C(C)C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C", "species": [ "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0118478" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Polyporus==Polyporus" ] }, "RHWDQPXMKCQCKR-IWEPWQGWSA-N": { "inchikey": "RHWDQPXMKCQCKR-IWEPWQGWSA-N", "inchikey2D": "RHWDQPXMKCQCKR", "names": [ "(1r,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-1-[(3r,5s)-3-hydroxy-5,6-dimethylhept-1-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one" ], "molecular_formula": "C28H44O5", "smiles": "C=C([C@H](O)C[C@H](C)C(C)C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C", "species": [ "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0156359" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Polyporus==Polyporus" ] }, "JUHSHQMSDLSJCS-ZYEVRCEJSA-N": { "inchikey": "JUHSHQMSDLSJCS-ZYEVRCEJSA-N", "inchikey2D": "JUHSHQMSDLSJCS", "names": [ "(1r,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-1-[(2s,3r)-3-hydroxy-6-methyl-5-methylideneheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one", "Polyporusterone G" ], "molecular_formula": "C28H44O5", "smiles": "C=C(C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)C", "species": [ "[npatlas-query] Polyporus", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0186765", "npaid": "NPA007771" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Polyporus==Polyporus", "INCLUDE:Polyporus==Polyporus" ] }, "RVRAYMBCPTYQKZ-UFOPSCFWSA-N": { "inchikey": "RVRAYMBCPTYQKZ-UFOPSCFWSA-N", "inchikey2D": "RVRAYMBCPTYQKZ", "names": [ "(1r,2s,3as,5ar,7r,8s,9ar,9br,11ar)-1-[(2r,3r)-2,3-dihydroxy-5,6-dimethylheptan-2-yl]-2,3a,7,8-tetrahydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one", "Polyporoid C" ], "molecular_formula": "C28H46O7", "smiles": "CC(C)C(C)C[C@@H](O)[C@](C)(O)[C@H]1[C@@H](O)C[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C", "species": [ "[npatlas-query] Polyporus", "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS", "NPAtlas" ], "external_ids": { "lotus_id": "LTS0116119", "npaid": "NPA008857" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Polyporus==Polyporus", "INCLUDE:Polyporus==Polyporus" ] }, "KUHLZEYBXZHTEY-UHFFFAOYSA-N": { "inchikey": "KUHLZEYBXZHTEY-UHFFFAOYSA-N", "inchikey2D": "KUHLZEYBXZHTEY", "names": [ "oxo(2,4,5-trihydroxyphenyl)acetic acid" ], "molecular_formula": "C8H6O6", "smiles": "O=C(O)C(=O)c1cc(O)c(O)cc1O", "species": [ "[query-hint] Polyporus" ], "source_dbs": [ "LOTUS" ], "external_ids": { "lotus_id": "LTS0182540" }, "toxicity_filter_pass": true, "toxicity_filter_reasons": [ "INCLUDE:Polyporus==Polyporus" ] }, "KQBCIGPPRFLKLS-UHFFFAOYSA-N": { "inchikey": "KQBCIGPPRFLKLS-UHFFFAOYSA-N", "inchikey2D": "KQBCIGPPRFLKLS", "names": [ "1-(2,3-dihydroxy-5,6-dimethylheptan-2-yl)-3a,7,8-trihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one" ], "molecular_formula": "C28H46O6", "smiles": 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