CHEBI:203060 - Pyripyropene H

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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 H
ChEBI ID CHEBI:203060
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H35NO6
Net Charge 0
Average Mass 481.589
Monoisotopic Mass 481.24644
InChI InChI=1S/C28H35NO6/c1-6-21(30)34-20-10-11-27(4)19(26(20,2)3)9-12-28(5)24(27)23(31)22-18(35-28)14-17(33-25(22)32)16-8-7-13-29-15-16/h7-8,13-15,19-20,23-24,31H,6,9-12H2,1-5H3/t19-,20-,23-,24+,27-,28+/m0/s1
InChIKey SXJTWYINRPVQFO-SKCCSFANSA-N
SMILES O=C1OC(C2=CN=CC=C2)=CC3=C1[C@H](O)[C@@H]4[C@@]5([C@H](C([C@@H](OC(=O)CC)CC5)(C)C)CC[C@]4(O3)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Pyripyropene H (CHEBI:203060) is a organic heterotricyclic compound (CHEBI:26979)
Pyripyropene H (CHEBI:203060) is a organooxygen compound (CHEBI:36963)
IUPAC Name
[(1S,2S,5S,7R,10R,18R)-18-hydroxy-2,6,6,10-tetramethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-5-yl] propanoate
Manual Xref Database
8226449 ChemSpider
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