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CHEBI:79868 - Estrone 16-oxime

ChEBI IDCHEBI:79868
ChEBI NameEstrone 16-oxime
Stars
Last Modified20 January 2015
DownloadsMolfile
FormulaC18H21NO3
Net Charge0
Average Mass299.370
Monoisotopic Mass299.15214
SMILES[H][C@@]12C/C(=N\O)C(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
InChIInChI=1S/C18H21NO3/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19-22)17(18)21/h3,5,8,13-15,20,22H,2,4,6-7,9H2,1H3/b19-16+/t13-,14-,15+,18+/m1/s1
InChIKeyIRFSYLYJKJQLIR-VGSXEYKCSA-N
ChEBI Ontology
Outgoing Relation(s)
Estrone 16-oxime (CHEBI:79868) is a 3-hydroxy steroid (CHEBI:36834)
Synonym  Source
3-Hydroxyestra-1,3,5(10)-triene-16,17-dione 16-oximeKEGG COMPOUND
Manual XrefsDatabases
C15366KEGG COMPOUND