18 18  0  0  0  0  0  0  0  0999 V2000
   20.7803  -23.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7803  -24.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9997  -25.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2192  -24.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2192  -23.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9997  -22.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5610  -25.1368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4574  -22.3097    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   25.6695  -23.0094    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   23.4356  -21.3352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2900  -21.1972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.8880  -22.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1693  -22.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1074  -21.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4060  -20.6190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0343  -20.9108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4624  -24.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7085  -25.1368    0.0000 Na  0  3  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
  2  7  1  0     0  0
  5  8  1  0     0  0
  8  9  1  0     0  0
  8 10  2  0     0  0
  8 11  2  0     0  0
  9 12  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 12 16  2  0     0  0
 13 17  1  0     0  0
M  CHG  2   9  -1  18   1
M  END
> <ID>
CHEBI:81291

> <NAME>
Sulfamethoxazole sodium

> <STAR>
2

> <FORMULA>
C10H10N3NaO3S

> <MASS>
275.25900

> <MONOISOTOPIC_MASS>
275.03406

> <CHARGE>
0

> <SMILES>
[Na+].Cc1conc1[N-]S(=O)(=O)c1ccc(N)cc1

> <INCHI>
InChI=1S/C10H10N3O3S.Na/c1-7-6-16-12-10(7)13-17(14,15)9-4-2-8(11)3-5-9;/h2-6H,11H2,1H3;/q-1;+1

> <INCHIKEY>
WDTODOXBYLKKKB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
4563-84-2

> <KEGG_COMPOUND_ACCESSION>
C17718

$$$$