null
  CDK     0224162302
null
 21 23  0  0  0  0  0  0  0  0999 V2000
    1.4289    7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    8.1792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.2292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2978    2.6459    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1311    2.6459    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6939    2.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5189    2.6459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228    2.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5353    1.9314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  5  7  1  0  0  0  0 
  3  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13  8  1  0  0  0  0 
 14 11  1  1  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 14  1  0  0  0  0 
 17 18  1  1  0  0  0 
 18 19  3  0  0  0  0 
 15 20  1  1  0  0  0 
 20 21  1  0  0  0  0 
M  END
> <ID>
CHEBI:99067

> <NAME>
(2R,3R,4S)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

> <STAR>
2

> <FORMULA>
C17H15FN2O

> <MASS>
282.313

> <MONOISOTOPIC_MASS>
282.11684

> <CHARGE>
0

> <SMILES>
C1=CC(=CC(=C1)F)C2=CC=C(C=C2)[C@H]3[C@H](N[C@H]3C#N)CO

> <INCHI>
InChI=1S/C17H15FN2O/c18-14-3-1-2-13(8-14)11-4-6-12(7-5-11)17-15(9-19)20-16(17)10-21/h1-8,15-17,20-21H,10H2/t15-,16+,17+/m0/s1

> <INCHIKEY>
WYIJFLWERXFFKQ-GVDBMIGSSA-N

> <LINCS_ACCESSION>
LSM-10446

$$$$