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CHEBI:191591 - Momordenol

ChEBI IDCHEBI:191591
ChEBI NameMomordenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46O2
Net Charge0
Average Mass426.685
Monoisotopic Mass426.34978
SMILESCCC(CCC(C)C1C(=O)C=C2C3CC=C4CC(O)CCC4(C)C3CCC21C)C(C)C
InChIInChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)27-26(31)17-25-23-11-10-21-16-22(30)12-14-28(21,5)24(23)13-15-29(25,27)6/h10,17-20,22-24,27,30H,7-9,11-16H2,1-6H3
InChIKeyMEWYFWRPPPAWSI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Momordenol (CHEBI:191591) is a ergostanoid (CHEBI:50403)
IUPAC Name 
17-(5-ethyl-6-methylheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,17-decahydrocyclopenta[a]phenanthren-16-one
Manual XrefsDatabases
HMDB0031080HMDB