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CHEBI:218638 - Ergosta-4,6,8,22-tetraen-3-one

ChEBI IDCHEBI:218638
ChEBI NameErgosta-4,6,8,22-tetraen-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O
Net Charge0
Average Mass392.627
Monoisotopic Mass392.30792
SMILESCC(C)C(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C=C1C=C3
InChIInChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24-25H,11-16H2,1-6H3/b8-7+/t19?,20-,24-,25+,27+,28-/m1/s1
InChIKeyPVOXMLZUXQNIHC-WFLQLWEZSA-N
Species of MetaboliteComponentSourceComments
Pleurotus ostreatus (ncbitaxon:5322) - DOI (10.1016/s0031-9422(97)00249-5)
ChEBI Ontology
Outgoing Relation(s)
Ergosta-4,6,8,22-tetraen-3-one (CHEBI:218638) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(10S,13R,14R,17R)-17-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
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78437606ChemSpider