-OEChem-10311114422D

  9  9  0     0  0  0  0  0  0999 V2000
   30.6444  -15.5530    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   28.2265  -14.1540    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   28.2265  -19.7564    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   29.4326  -16.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2207  -15.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2207  -18.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4326  -17.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0089  -16.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0089  -17.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
8820

> <PUBCHEM_SUBSTANCE_VERSION>
7

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C06594

> <PUBCHEM_SUBSTANCE_COMMENT>
Pathway: <a href="http://www.genome.jp/kegg-bin/show_pathway?map00361+C06594">map00361</a> Chlorocyclohexane and chlorobenzene degradation
Is a reactant of enzyme EC: 1.14.12.-

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,2,4-Trichlorobenzene
120-82-1
C06594
Trichlorobenzene A

> <PUBCHEM_GENERIC_REGISTRY_NAME>
120-82-1

> <PUBCHEM_XREF_EXT_ID>
C06594

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd:C06594

> <PUBCHEM_CID_ASSOCIATIONS>
13  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$