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CHEBI:181012 - (17|A)-17-Hydroxy-3-oxo-19-norpregna-5(10),9(11)-diene-21-nitrile

ChEBI IDCHEBI:181012
ChEBI Name(17|A)-17-Hydroxy-3-oxo-19-norpregna-5(10),9(11)-diene-21-nitrile
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H25NO2
Net Charge0
Average Mass311.425
Monoisotopic Mass311.18853
SMILES[H][C@@]12CC[C@@](O)(CC#N)[C@@]1(C)CC=C1C3=C(CC[C@]12[H])CC(=O)CC3
InChIInChI=1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h6,17-18,23H,2-5,7-10,12H2,1H3/t17-,18+,19+,20-/m1/s1
InChIKeyWUQMVSOZWZOUJR-FUMNGEBKSA-N
ChEBI Ontology
Outgoing Relation(s)
(17|A)-17-Hydroxy-3-oxo-19-norpregna-5(10),9(11)-diene-21-nitrile (CHEBI:181012) is a oxo steroid (CHEBI:35789)
IUPAC Name 
2-[(8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile
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