11 11  0  0  0  0  0  0  0  0999 V2000
   12.3200  -21.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5324  -21.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7449  -21.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9573  -21.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1697  -21.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9573  -23.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1737  -19.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042  -19.3866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042  -20.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0410  -21.6394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6901  -20.7480    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  4  6  2  0     0  0
  1  7  2  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  1 10  1  0     0  0
  9 11  2  0     0  0
M  END
> <ID>
CHEBI:9572

> <NAME>
Thiourocanic acid

> <STAR>
2

> <SYNONYM>
Thiourocanic acid

> <FORMULA>
C6H6N2O2S

> <MASS>
170.190

> <MONOISOTOPIC_MASS>
170.01500

> <CHARGE>
0

> <SMILES>
OC(=O)\C=C\c1c[nH]c(=S)[nH]1

> <INCHI>
InChI=1S/C6H6N2O2S/c9-5(10)2-1-4-3-7-6(11)8-4/h1-3H,(H,9,10)(H2,7,8,11)/b2-1+

> <INCHIKEY>
ZBKFFCZXHBPGFK-OWOJBTEDSA-N

> <KEGG_COMPOUND_ACCESSION>
C05571

$$$$