-OEChem-03311014132D

 10  9  0     0  0  0  0  0  0999 V2000
    5.4512   -2.4857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4561   -3.6359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1502    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4561   -1.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1211   -2.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3059   -1.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1502   -1.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7910   -0.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6063   -0.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  6  1  0  0  0  0
  3  8  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
48414773

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
EPA DSSTox

> <PUBCHEM_EXT_DATASOURCE_REGID>
21581

> <PUBCHEM_SUBSTANCE_COMMENT>
Substance included in EPA DSSTox DBPCAN: EPA Water Disinfection By-Products with Carcinogenicity Estimates Database File: <a href="http://www.epa.gov/ncct/dsstox/sdf_dbpcan.html"target="_blank">[link to DSSTox SDF Download Page]</a>
Structure Shown: tested chemical
For further information visit the EPA OncoLogic Information <a href="http://www.epa.gov/opptintr/newchems/tools/oncologic.htm"target="_blank">Website</a>

> <PUBCHEM_SUBSTANCE_SYNONYM>
2,2-dimethylbutanedioic acid
2,2-dimethylsuccinic acid
597-43-3

> <PUBCHEM_GENERIC_REGISTRY_NAME>
597-43-3

> <PUBCHEM_XREF_EXT_ID>
21581

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.epa.gov/ncct/dsstox/sdf_dbpcan.html

> <PUBCHEM_CID_ASSOCIATIONS>
11701  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$