-OEChem-10281115192D

 14 14  0     0  0  0  0  0  0999 V2000
   28.8626  -14.8716    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   28.8626  -19.0726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.0737  -16.9722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6455  -16.9722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.2849  -19.0668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.4344  -19.0726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.0737  -18.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6455  -18.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8626  -16.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4960  -18.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2232  -18.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7070  -19.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4960  -16.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0123  -19.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
8780

> <PUBCHEM_SUBSTANCE_VERSION>
6

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C06551

> <PUBCHEM_SUBSTANCE_COMMENT>
Pathway: <a href="http://www.genome.jp/kegg-bin/show_pathway?map00791+C06551">map00791</a> Atrazine degradation
Is a reactant of enzyme EC: 1.14.15.-
Is a reactant of enzyme EC: 3.8.1.8

> <PUBCHEM_SUBSTANCE_SYNONYM>
1912-24-9
Atrazine
C06551

> <PUBCHEM_GENERIC_REGISTRY_NAME>
1912-24-9

> <PUBCHEM_XREF_EXT_ID>
C06551

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd:C06551

> <PUBCHEM_CID_ASSOCIATIONS>
2256  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$