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CHEBI:34166 - 16-Ketoestrone

ChEBI IDCHEBI:34166
ChEBI Name16-Ketoestrone
Stars
Last Modified20 January 2015
DownloadsMolfile
FormulaC18H20O3
Net Charge0
Average Mass284.355
Monoisotopic Mass284.14124
SMILES[H][C@@]12CC(=O)C(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
InChIInChI=1S/C18H20O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3/t13-,14-,15+,18+/m1/s1
InChIKeyANPHVANSJXDRTP-BSXFFOKHSA-N
ChEBI Ontology
Outgoing Relation(s)
16-Ketoestrone (CHEBI:34166) is a 3-hydroxy steroid (CHEBI:36834)
Synonyms  Source
16-KetoestroneKEGG COMPOUND
3-Hydroxy-1,3,5(10)-estratriene-16,17-dioneKEGG COMPOUND
Manual XrefsDatabases
C14441KEGG COMPOUND
Registry NumbersSources
CAS:1228-73-5KEGG COMPOUND