-OEChem-10311114442D

 18 19  0     0  0  0  0  0  0999 V2000
   26.1314  -14.3254    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   23.7086  -14.3254    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   29.7717  -19.2239    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   20.0741  -19.2239    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   24.9200  -16.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1257  -17.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7086  -17.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9257  -15.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1257  -18.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4970  -16.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3430  -16.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7086  -18.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5544  -18.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2797  -18.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3430  -19.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2797  -17.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5544  -17.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4970  -19.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  2  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
8862

> <PUBCHEM_SUBSTANCE_VERSION>
6

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C06636

> <PUBCHEM_SUBSTANCE_COMMENT>
Pathway: <a href="http://www.genome.jp/kegg-bin/show_pathway?map00351+C06636">map00351</a> DDT degradation
Is a reactant of enzyme EC: 4.5.1.-

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane
72-54-8
C06636
DDD
Dichlorodiphenyldichloroethane
TDE

> <PUBCHEM_GENERIC_REGISTRY_NAME>
72-54-8

> <PUBCHEM_XREF_EXT_ID>
C06636

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd:C06636

> <PUBCHEM_CID_ASSOCIATIONS>
6294  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$