EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:191496 - Stigmastentriol

ChEBI IDCHEBI:191496
ChEBI NameStigmastentriol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H50O3
Net Charge0
Average Mass446.716
Monoisotopic Mass446.37600
SMILESCCC(CC(O)C(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C
InChIInChI=1S/C29H50O3/c1-7-19(17(2)3)14-25(31)18(4)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(30)15-20(28)16-26(27)32/h16-19,21-27,30-32H,7-15H2,1-6H3
InChIKeyNZSAHCYFUVNLPX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Stigmastentriol (CHEBI:191496) has parent hydride stigmastane (CHEBI:26773)
Stigmastentriol (CHEBI:191496) is a steroid (CHEBI:35341)
IUPAC Name 
17-(5-ethyl-3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Manual XrefsDatabases
HMDB0029607HMDB