-OEChem-10311114442D

 16 16  0     0  0  0  0  0  0999 V2000
   22.9773  -16.2243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9784  -17.6144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7718  -14.1154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7761  -19.8845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5695  -16.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5707  -17.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7729  -15.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7752  -18.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3650  -15.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3673  -18.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1618  -16.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1629  -17.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1701  -15.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1516  -18.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3852  -16.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3419  -17.6014    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>
17397892

> <PUBCHEM_SUBSTANCE_VERSION>
6

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
D03804

> <PUBCHEM_SUBSTANCE_COMMENT>
Same as: <a href="http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7846987">C14175</a>
Activity: Pharmaceutic aid [plasticizer]

> <PUBCHEM_SUBSTANCE_SYNONYM>
84-66-2
D03804
Diethyl phthalate (NF)

> <PUBCHEM_GENERIC_REGISTRY_NAME>
84-66-2

> <PUBCHEM_XREF_EXT_ID>
D03804

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?dr:D03804

> <PUBCHEM_CID_ASSOCIATIONS>
6781  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$