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CHEBI:189950 - Epimetendiol

ChEBI IDCHEBI:189950
ChEBI NameEpimetendiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O2
Net Charge0
Average Mass304.474
Monoisotopic Mass304.24023
SMILES[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@@](C)(O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)C=C[C@@H](O)C2
InChIInChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,13-17,21-22H,4-5,7-8,10-12H2,1-3H3/t13-,14-,15-,16+,17+,18+,19+,20-/m1/s1
InChIKeyUMCBDWHORFFLCD-ULWYFIRJSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
Roles Classification
Biological Role:
androgen  A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
ChEBI Ontology
Outgoing Relation(s)
Epimetendiol (CHEBI:189950) has role androgen (CHEBI:50113)
Epimetendiol (CHEBI:189950) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(3S,5R,8R,9S,10R,13S,14S,17R)-10,13,17-trimethyl-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Manual XrefsDatabases
52085472ChemSpider
Registry NumbersSources
CAS:132830-78-5ChemIDplus