-OEChem-10311114442D

 16 16  0     0  0  0  0  0  0999 V2000
    1.6434    1.2563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6434    0.4312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289    2.4938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289   -0.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2145    1.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2145    0.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289    1.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289    0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    1.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2145    1.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2145    0.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3579    1.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3579    0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0723    1.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0723    0.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
11533730

> <PUBCHEM_SUBSTANCE_VERSION>
10

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:34698

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,2-Benzenedicarboxylic acid diethyl ester
1,2-Diethyl phthalate
CHEBI:34698
DEP
Diethyl 1,2-benzenedicarboxylate
Diethyl o-phthalate
Diethyl phthalate
Ethyl phthalate
Phthalic acid diethyl ester
Phthalsaeurediaethylester
diethyl benzene-1,2-dicarboxylate
o-Benzenedicarboxylic acid diethyl ester
o-Bis(ethoxycarbonyl)benzene

> <PUBCHEM_XREF_EXT_ID>
CHEBI:34698

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34698

> <PUBCHEM_CID_ASSOCIATIONS>
6781  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$