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CHEBI:169484 - (22E,24R)-Stigmasta-4,22-diene-3,6-dione

ChEBI IDCHEBI:169484
ChEBI Name(22E,24R)-Stigmasta-4,22-diene-3,6-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O2
Net Charge0
Average Mass424.669
Monoisotopic Mass424.33413
SMILESCCC(/C=C/C(C)C1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C)C(C)C
InChIInChI=1S/C29H44O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,16,18-20,22-25H,7,10-15,17H2,1-6H3/b9-8+
InChIKeyXWHBTBBUPBKDBB-CMDGGOBGSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(22E,24R)-Stigmasta-4,22-diene-3,6-dione (CHEBI:169484) has parent hydride stigmastane (CHEBI:26773)
(22E,24R)-Stigmasta-4,22-diene-3,6-dione (CHEBI:169484) is a steroid (CHEBI:35341)
IUPAC Name 
17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
Manual XrefsDatabases
HMDB0038656HMDB