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CHEBI:209134 - (22E)-ergosta-4,6,8(14),22,24(28)-pentaen-3-one

ChEBI IDCHEBI:209134
ChEBI Name(22E)-ergosta-4,6,8(14),22,24(28)-pentaen-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O
Net Charge0
Average Mass390.611
Monoisotopic Mass390.29227
SMILESC=C(/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C
InChIInChI=1S/C28H38O/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/h7-10,17-18,20,24,26H,3,11-16H2,1-2,4-6H3/b8-7+/t20-,24-,26+,27+,28-/m1/s1
InChIKeyTVHXCCXWQYICOI-FCXPTMTQSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (26363883)
ChEBI Ontology
Outgoing Relation(s)
(22E)-ergosta-4,6,8(14),22,24(28)-pentaen-3-one (CHEBI:209134) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(9R,10R,13R,17R)-10,13-dimethyl-17-[(E,2R)-6-methyl-5-methylidenehept-3-en-2-yl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
40256556ChemSpider