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CHEBI:97949 - (2R,3R,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile

ChEBI IDCHEBI:97949
ChEBI Name(2R,3R,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile
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DownloadsMolfile
FormulaC17H20N2O
Net Charge0
Average Mass268.360
Monoisotopic Mass268.15756
SMILESN#C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCCC2)cc1
InChIInChI=1S/C17H20N2O/c18-10-15-17(16(11-20)19-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h4,6-9,15-17,19-20H,1-3,5,11H2/t15-,16-,17+/m0/s1
InChIKeySIGXZWYEWAPHMA-YESZJQIVSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile (CHEBI:97949) is a azetidines (CHEBI:38777)
(2R,3R,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile (CHEBI:97949) is a benzenes (CHEBI:22712)
(2R,3R,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile (CHEBI:97949) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-9328LINCS