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CHEBI:34165 - 16-Ketoestradiol

Default Structure
ChEBI IDCHEBI:34165
ChEBI Name16-Ketoestradiol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H22O3
Net Charge0
Average Mass286.371
Monoisotopic Mass286.15689
SMILES[H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)C(=O)C[C@@]21[H]
InChIInChI=1S/C18H22O3/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/h3,5,8,13-15,17,19,21H,2,4,6-7,9H2,1H3/t13-,14-,15+,17+,18+/m1/s1
InChIKeyKJDGFQJCHFJTRH-YONAWACDSA-N
ChEBI Ontology
Outgoing Relation(s)
16-Ketoestradiol (CHEBI:34165) is a 16-oxo steroid (CHEBI:47786)
Synonyms  Source
16-KetoestradiolKEGG COMPOUND
16-Oxo-17beta-estradiolKEGG COMPOUND
Manual XrefsDatabases
C14383KEGG COMPOUND
HMDB0000406HMDB
Registry NumbersSources
CAS:566-75-6KEGG COMPOUND