CHEBI:215785 - Pyripyropene B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Pyripyropene B
ChEBI ID CHEBI:215785
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H39NO10
Net Charge 0
Average Mass 597.661
Monoisotopic Mass 597.25740
InChI InChI=1S/C32H39NO10/c1-7-25(36)39-16-31(5)22-14-24(41-18(3)35)32(6)28(30(22,4)11-10-23(31)40-17(2)34)27(37)26-21(43-32)13-20(42-29(26)38)19-9-8-12-33-15-19/h8-9,12-13,15,22-24,27-28,37H,7,10-11,14,16H2,1-6H3
InChIKey HQJYCJFUVSNJFK-UHFFFAOYSA-N
SMILES O=C1OC(C2=CN=CC=C2)=CC3=C1C(O)C4C5(C(C(C(OC(=O)C)CC5)(COC(=O)CC)C)CC(C4(O3)C)OC(=O)C)C
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) See: PubMed
ChEBI Ontology
Outgoing Pyripyropene B (CHEBI:215785) is a 1-hydroxy steroid (CHEBI:71017)
IUPAC Name
(5,9-diacetyloxy-18-hydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-6-yl)methyl propanoate
Manual Xref Database
167096 ChemSpider
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