21 22  0  0  0  0  0  0  0  0999 V2000
   18.2626  -20.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2626  -21.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4784  -22.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6944  -21.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6944  -20.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4784  -19.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1261  -20.1421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9102  -19.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9102  -18.0361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0468  -22.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3271  -19.4485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.5187  -20.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7129  -19.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9288  -20.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1447  -19.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1447  -18.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9288  -17.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7129  -18.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3625  -17.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5565  -18.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3626  -15.9303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  7  8  1  0     0  0
  5  8  1  0     0  0
  8  9  2  0     0  0
  2 10  1  0     0  0
  7 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 13 18  1  0     0  0
 16 19  1  0     0  0
 19 20  1  0     0  0
 19 21  1  0     0  0
M  END
> <ID>
CHEBI:80000

> <NAME>
GSK 4716

> <STAR>
2

> <FORMULA>
C17H18N2O2

> <MASS>
282.33700

> <MONOISOTOPIC_MASS>
282.13683

> <CHARGE>
0

> <SMILES>
CC(C)c1ccc(cc1)\C=N\NC(=O)c1ccc(O)cc1

> <INCHI>
InChI=1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-12,20H,1-2H3,(H,19,21)/b18-11+

> <INCHIKEY>
IKPPIUNQWSRCOZ-WOJGMQOQSA-N

> <CAS_REGISTRY_NUMBER>
101574-65-6

> <KEGG_COMPOUND_ACCESSION>
C15642

$$$$