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CHEBI:230181 - 3b-hydroxy-estra-5,7,9-trien-17-one

ChEBI IDCHEBI:230181
ChEBI Name3b-hydroxy-estra-5,7,9-trien-17-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O2
Net Charge0
Average Mass270.372
Monoisotopic Mass270.16198
SMILESC[C@]12CCc3c(ccc4c3CCC(O)C4)[C@@H]1CCC2=O
InChIInChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,4,12,16,19H,3,5-10H2,1H3/t12?,16-,18-/m0/s1
InChIKeyOMDIWOLGOMWKEH-YSAJCMGZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
3b-hydroxy-estra-5,7,9-trien-17-one (CHEBI:230181) is a oxo steroid (CHEBI:35789)
IUPAC Name 
(13S,14S)-3-hydroxy-13-methyl-2,3,4,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-one