EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216446 - (17S,23S)-17,23-epoxy-3beta-hydroxy-7,11,15-trioxo-5alpha-lanosta-8-en-26,23-olide

Default Structure
ChEBI IDCHEBI:216446
ChEBI Name(17S,23S)-17,23-epoxy-3beta-hydroxy-7,11,15-trioxo-5alpha-lanosta-8-en-26,23-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O7
Net Charge0
Average Mass512.643
Monoisotopic Mass512.27740
SMILESCC1C[C@]2(C[C@@H](C)C(=O)O2)O[C@@]12CC(=O)[C@@]1(C)C3=C(C(=O)C[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O
InChIInChI=1S/C30H40O7/c1-15-11-29(36-24(15)35)12-16(2)30(37-29)14-21(34)28(7)23-17(31)10-19-25(3,4)20(33)8-9-26(19,5)22(23)18(32)13-27(28,30)6/h15-16,19-20,33H,8-14H2,1-7H3/t15-,16?,19+,20+,26+,27+,28+,29+,30+/m1/s1
InChIKeyWXLNRMQNOFBFEP-WKXUEOODSA-N
Species of MetaboliteComponentSourceComments
Ganoderma resinaceum (ncbitaxon:34465) - PubMed (29890656)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(17S,23S)-17,23-epoxy-3beta-hydroxy-7,11,15-trioxo-5alpha-lanosta-8-en-26,23-olide (CHEBI:216446) is a withanolide (CHEBI:74716)