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CHEBI:79582 - 17beta-Hydroxy-3-methoxyestra-1,3,5(10)-triene-17-carbonitrile

ChEBI IDCHEBI:79582
ChEBI Name17beta-Hydroxy-3-methoxyestra-1,3,5(10)-triene-17-carbonitrile
Stars
DownloadsMolfile
FormulaC20H25NO2
Net Charge0
Average Mass311.425
Monoisotopic Mass311.18853
SMILES[H][C@@]12CC[C@@](O)(C#N)[C@@]1(C)CC[C@]1([H])c3ccc(OC)cc3CC[C@@]21[H]
InChIInChI=1S/C20H25NO2/c1-19-9-7-16-15-6-4-14(23-2)11-13(15)3-5-17(16)18(19)8-10-20(19,22)12-21/h4,6,11,16-18,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20-/m1/s1
InChIKeyJLKBXDGMZFCRPY-SWBPCFCJSA-N
ChEBI Ontology
Outgoing Relation(s)
17beta-Hydroxy-3-methoxyestra-1,3,5(10)-triene-17-carbonitrile (CHEBI:79582) has parent hydride estrane (CHEBI:23966)
17beta-Hydroxy-3-methoxyestra-1,3,5(10)-triene-17-carbonitrile (CHEBI:79582) is a steroid (CHEBI:35341)
Manual XrefsDatabases
C15062KEGG COMPOUND