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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3b-hydroxy-estra-5,7,9-trien-17-one
ChEBI ID CHEBI:230181
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H22O2
Net Charge 0
Average Mass 270.372
Monoisotopic Mass 270.16198
InChI InChI=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
InChIKey OMDIWOLGOMWKEH-YSAJCMGZSA-N
SMILES O=C1[C@@]2([C@@H](CC1)C3=C(CC2)C4=C(CC(O)CC4)C=C3)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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