27 28  0  0  0  0  0  0  0  0999 V2000
   12.7400  -17.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7400  -18.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9524  -19.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1649  -18.4800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1649  -17.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9524  -16.3800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4024  -16.3800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6149  -17.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8273  -16.3800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0397  -17.0800    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.2522  -16.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5276  -16.3800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3321  -17.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9524  -20.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7232  -21.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6149  -18.4798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3397  -18.2924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0297  -18.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4853  -17.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6979  -16.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6981  -14.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4650  -14.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2524  -14.9800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.4849  -18.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2611  -19.1861    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   23.6860  -19.1738    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   22.4849  -19.8799    0.0000 F   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
  5  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
  1 12  1  0     0  0
 12 13  1  0     0  0
  3 14  1  0     0  0
 14 15  1  0     0  0
  8 16  2  0     0  0
 10 17  2  0     0  0
 10 18  2  0     0  0
 11 19  2  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 11 23  1  0     0  0
 19 24  1  0     0  0
 24 25  1  0     0  0
 24 26  1  0     0  0
 24 27  1  0     0  0
M  END
> <ID>
CHEBI:81749

> <NAME>
Flazasulfuron

> <STAR>
2

> <FORMULA>
C13H12F3N5O5S

> <MASS>
407.32500

> <MONOISOTOPIC_MASS>
407.05112

> <CHARGE>
0

> <SMILES>
COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(F)(F)F)n1

> <INCHI>
InChI=1S/C13H12F3N5O5S/c1-25-8-6-9(26-2)19-11(18-8)20-12(22)21-27(23,24)10-7(13(14,15)16)4-3-5-17-10/h3-6H,1-2H3,(H2,18,19,20,21,22)

> <INCHIKEY>
HWATZEJQIXKWQS-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
104040-78-0

> <KEGG_COMPOUND_ACCESSION>
C18441

$$$$