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CHEBI:79930 - 3-Hydroxyestra-1,3,5(10)-trien-17-one O-(carboxymethyl)oxime

ChEBI IDCHEBI:79930
ChEBI Name3-Hydroxyestra-1,3,5(10)-trien-17-one O-(carboxymethyl)oxime
Stars
Last Modified20 January 2015
DownloadsMolfile
FormulaC20H25NO4
Net Charge0
Average Mass343.423
Monoisotopic Mass343.17836
SMILES[H][C@@]12CC/C(=N\OCC(=O)O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
InChIInChI=1S/C20H25NO4/c1-20-9-8-15-14-5-3-13(22)10-12(14)2-4-16(15)17(20)6-7-18(20)21-25-11-19(23)24/h3,5,10,15-17,22H,2,4,6-9,11H2,1H3,(H,23,24)/b21-18+/t15-,16-,17+,20+/m1/s1
InChIKeyUZKYYNQEKCAXLJ-YBFXVWRFSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxyestra-1,3,5(10)-trien-17-one O-(carboxymethyl)oxime (CHEBI:79930) is a 3-hydroxy steroid (CHEBI:36834)
Synonym  Source
Estrone 17-O-carboxymethyloximeKEGG COMPOUND
Manual XrefsDatabases
C15430KEGG COMPOUND