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CHEBI:79537 - 3-(2-allyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime

ChEBI IDCHEBI:79537
ChEBI Name3-(2-allyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime
Stars
Last Modified13 March 2017
DownloadsMolfile
FormulaC21H25NO3
Net Charge0
Average Mass339.435
Monoisotopic Mass339.18344
SMILES[H][C@@]12CC(=NO)C(=O)[C@@]1(C)CC[C@]1([H])c3ccc(OCC=C)cc3CC[C@@]21[H]
InChIInChI=1S/C21H25NO3/c1-3-10-25-14-5-7-15-13(11-14)4-6-17-16(15)8-9-21(2)18(17)12-19(22-24)20(21)23/h3,5,7,11,16-18,24H,1,4,6,8-10,12H2,2H3/t16-,17-,18+,21+/m1/s1
InChIKeyYEDFYMKASYROKP-WIRSXHRWSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(2-allyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime (CHEBI:79537) has parent hydride estrane (CHEBI:23966)
3-(2-allyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime (CHEBI:79537) is a 17-oxo steroid (CHEBI:19168)
3-(2-allyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime (CHEBI:79537) is a ketoxime (CHEBI:24983)
IUPAC Name 
3-(allyloxy)-16-(hydroxyimino)estra-1,3,5(10)-trien-17-one
Synonym  Source
3-(2-Propenyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oximeKEGG COMPOUND
Manual XrefsDatabases
C15014KEGG COMPOUND