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CHEBI:216323 - 25alpha-hydroxyergosta-7,22-dien-3-one

ChEBI IDCHEBI:216323
ChEBI Name25alpha-hydroxyergosta-7,22-dien-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O2
Net Charge0
Average Mass412.658
Monoisotopic Mass412.33413
SMILESC[C@H](/C=C/[C@H](C)C(C)(C)O)C1CCC2C3=CCC4CC(=O)CC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C28H44O2/c1-18(7-8-19(2)26(3,4)30)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,5)25(22)14-16-28(23,24)6/h7-8,10,18-20,23-25,30H,9,11-17H2,1-6H3/b8-7+/t18-,19+,20?,23?,24?,25?,27+,28-/m1/s1
InChIKeyYVCLBHXJAIJFNU-WMCGKGMVSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - DOI (10.5281/zenodo.3541358)
ChEBI Ontology
Outgoing Relation(s)
25alpha-hydroxyergosta-7,22-dien-3-one (CHEBI:216323) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(10S,13R)-17-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
78445765ChemSpider