-OEChem-10311114422D

  9  9  0     0  0  0  0  0  0999 V2000
    1.4289    0.6417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.8333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.5958    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>
8144379

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:28222

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,2,4-Trichlorbenzol
1,2,4-trichlorobenzene
1,2,5-trichlorobenzene
CHEBI:28222
as-trichlorobenzene
unsym-trichlorobenzene

> <PUBCHEM_XREF_EXT_ID>
CHEBI:28222

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.ebi.ac.uk/chebi/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28222

> <PUBCHEM_CID_ASSOCIATIONS>
13  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$