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CHEBI:187027 - 1,3,5(10)-estratrien-17-one-3,7,8-triol

ChEBI IDCHEBI:187027
ChEBI Name1,3,5(10)-estratrien-17-one-3,7,8-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O3
Net Charge0
Average Mass300.398
Monoisotopic Mass300.17254
SMILES[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC(O)C21C
InChIInChI=1S/C19H24O3/c1-18-8-7-14-13-4-3-12(20)9-11(13)10-17(22)19(14,2)15(18)5-6-16(18)21/h3-4,9,14-15,17,20,22H,5-8,10H2,1-2H3/t14-,15-,17?,18+,19?/m1/s1
InChIKeyDIPFMGANSVOZAN-CTFRIIQPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
1,3,5(10)-estratrien-17-one-3,7,8-triol (CHEBI:187027) is a oxo steroid (CHEBI:35789)
IUPAC Name 
(9R,13S,14S)-3,7-dihydroxy-8,13-dimethyl-6,7,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-one
Manual XrefsDatabases
7826158ChemSpider
LMST02010018LIPID MAPS