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CHEBI:174034 - 17beta-Estradiol-2,3-quinone

ChEBI IDCHEBI:174034
ChEBI Name17beta-Estradiol-2,3-quinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O3
Net Charge0
Average Mass286.371
Monoisotopic Mass286.15689
SMILES[H][C@]12CCC3=CC(=O)C(=O)C=C3[C@]1([H])CC[C@]1(C)[C@@H](O)CC[C@]21[H]
InChIInChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,21H,2-7H2,1H3/t11-,12+,14-,17+,18+/m1/s1
InChIKeyLBSRSXWOMYPVBY-LRDWQAQRSA-N
ChEBI Ontology
Outgoing Relation(s)
17beta-Estradiol-2,3-quinone (CHEBI:174034) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(8S,9R,13S,14R,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3-dione
Manual XrefsDatabases
30778528ChemSpider
HMDB0060084HMDB