-OEChem-03261012002D

 11 11  0     0  0  0  0  0  0999 V2000
   -0.0069    1.0862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414    1.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828    1.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241    2.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069   -2.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
8571

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C06335

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 121-57-3
ChEBI: 27500
3DMET: B00941
Is a reactant or product of enzyme EC 1.7.1.-
Is a reactant or product of enzyme EC 1.14.12.-

> <PUBCHEM_SUBSTANCE_SYNONYM>
121-57-3
4-Aminobenzenesulfonate
4-Aminobenzenesulfonic acid
C06335
Sulfanilic acid
p-Aminobenzenesulfonic acid

> <PUBCHEM_GENERIC_REGISTRY_NAME>
121-57-3

> <PUBCHEM_XREF_EXT_ID>
C06335

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C06335

> <PUBCHEM_CID_ASSOCIATIONS>
8479  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$