-OEChem-07191013262D

 11 11  0     0  0  0  0  0  0999 V2000
   28.3319  -15.7514    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.7714  -15.7397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0154  -15.7338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3204  -14.0779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.7018  -17.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3319  -17.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5080  -17.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1383  -17.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5080  -19.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1383  -19.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3319  -19.8649    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  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
8569

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C06333

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 88-21-1
ChEBI: 1015
3DMET: B00940
NIKKAJI: J4.290K
Is a reactant or product of enzyme EC 1.14.12.14

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Aminobenzenesulfonate
2-Aminobenzenesulfonic acid
88-21-1
C06333
Orthanilic acid
o-Aminobenzenesulfonic acid

> <PUBCHEM_GENERIC_REGISTRY_NAME>
88-21-1

> <PUBCHEM_XREF_EXT_ID>
C06333

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C06333

> <PUBCHEM_CID_ASSOCIATIONS>
6926  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$