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CHEBI:192034 - Stigmasta-4,6-dien-3-one

ChEBI IDCHEBI:192034
ChEBI NameStigmasta-4,6-dien-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46O
Net Charge0
Average Mass410.686
Monoisotopic Mass410.35487
SMILESCCC(CCC(C)C1CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C)C(C)C
InChIInChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,18-21,24-27H,7-9,12-17H2,1-6H3
InChIKeyKEAZWUZFBSXOMV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Stigmasta-4,6-dien-3-one (CHEBI:192034) has parent hydride stigmastane (CHEBI:26773)
Stigmasta-4,6-dien-3-one (CHEBI:192034) is a steroid (CHEBI:35341)
IUPAC Name 
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
HMDB0039196HMDB