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CHEBI:79597 - 3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime

ChEBI IDCHEBI:79597
ChEBI Name3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime
Stars
DownloadsMolfile
FormulaC19H23NO3
Net Charge0
Average Mass313.397
Monoisotopic Mass313.16779
SMILES[H][C@@]12C/C(=N\O)C(=O)[C@@]1(C)CC[C@]1([H])c3ccc(OC)cc3CC[C@@]21[H]
InChIInChI=1S/C19H23NO3/c1-19-8-7-14-13-6-4-12(23-2)9-11(13)3-5-15(14)16(19)10-17(20-22)18(19)21/h4,6,9,14-16,22H,3,5,7-8,10H2,1-2H3/b20-17+/t14-,15-,16+,19+/m1/s1
InChIKeyCZHINTJOYWQKED-JQQXAHOJSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime (CHEBI:79597) has parent hydride estrane (CHEBI:23966)
3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime (CHEBI:79597) is a steroid (CHEBI:35341)
Synonym  Source
3-Methoxyestra-1,3,5(10)-trien-16-oximino-17-oneKEGG COMPOUND
Manual XrefsDatabases
C15078KEGG COMPOUND
Registry NumbersSources
CAS:40822-17-1KEGG COMPOUND