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CHEBI:174035 - 17beta-Estradiol-3,4-quinone

ChEBI IDCHEBI:174035
ChEBI Name17beta-Estradiol-3,4-quinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O3
Net Charge0
Average Mass286.371
Monoisotopic Mass286.15689
SMILES[H][C@]12CCC3=C(C=CC(=O)C3=O)[C@]1([H])CC[C@]1(C)[C@@H](O)CC[C@]21[H]
InChIInChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,20H,2-3,5,7-9H2,1H3/t11-,12-,14+,16-,18-/m0/s1
InChIKeyXVPUMLOTNZVTSL-BLNOFITASA-N
ChEBI Ontology
Outgoing Relation(s)
17beta-Estradiol-3,4-quinone (CHEBI:174035) is a oxo steroid (CHEBI:35789)
IUPAC Name 
(8S,9R,13S,14R,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4-dione
Manual XrefsDatabases
30778529ChemSpider
HMDB0060085HMDB