ISISHOST10050423322D 1   1.00000     0.00000 15253

  9  9  0     0  0            999 V2000
   20.9125   -8.7417    0.0000 C   0  0  0  0  0  0           0  0  0
   21.1693   -7.9576    0.0000 C   0  0  0  0  0  0           0  0  0
   20.5000   -7.4708    0.0000 C   0  0  0  0  0  0           0  0  0
   19.8308   -7.9576    0.0000 C   0  0  0  0  0  0           0  0  0
   20.0875   -8.7417    0.0000 N   0  0  0  0  0  0           0  0  0
   19.1184   -7.5418    0.0000 C   0  0  0  0  0  0           0  0  0
   18.4046   -7.9522    0.0000 S   0  0  0  0  0  0           0  0  0
   19.1184   -6.7142    0.0000 O   0  0  0  0  0  0           0  0  0
   17.5792   -7.9500    0.0000 R   0  0  0  0  0  0           0  0  0
  4  5  1  0     0  0
  5  1  1  0     0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  6  7  1  0     0  0
  6  8  2  0     0  0
  3  4  2  0     0  0
  7  9  1  0     0  0
  6  4  1  0     0  0
M  END
> <ID>
CHEBI:32078

> <NAME>
Pyrrole-2-carboxyl-[pcp]

> <STAR>
2

> <SYNONYM>
Pyrrole-2-carboxyl-[pcp]

> <FORMULA>
C5H4NOSR

> <MASS>
126.158

> <MONOISOTOPIC_MASS>
126.00136

> <CHARGE>
0

> <SMILES>
[*]SC(=O)c1ccc[nH]1

> <KEGG_COMPOUND_ACCESSION>
C12483

$$$$