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CHEBI:180194 - (6alpha,22E)-6-Hydroxy-4,7,22-ergostatrien-3-one

ChEBI IDCHEBI:180194
ChEBI Name(6alpha,22E)-6-Hydroxy-4,7,22-ergostatrien-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O2
Net Charge0
Average Mass410.642
Monoisotopic Mass410.31848
SMILESCC(C)C(C)/C=C/C(C)C1CCC2C3=CC(O)C4=CC(=O)CCC4(C)C3CCC21C
InChIInChI=1S/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,15-19,22-24,26,30H,9-14H2,1-6H3/b8-7+
InChIKeyIVVQZKHUQOPDBT-BQYQJAHWSA-N
ChEBI Ontology
Outgoing Relation(s)
(6alpha,22E)-6-Hydroxy-4,7,22-ergostatrien-3-one (CHEBI:180194) is a ergostanoid (CHEBI:50403)
IUPAC Name 
17-[(E)-5,6-dimethylhept-3-en-2-yl]-6-hydroxy-10,13-dimethyl-1,2,6,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
11596063ChemSpider
HMDB0037380HMDB