-OEChem-03311014132D

 26 26  0     0  0  0  0  0  0999 V2000
   22.8535  -18.5776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8546  -19.9770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6400  -16.4547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6443  -22.2622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.5134  -17.8726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4399  -20.6582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4296  -18.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4308  -19.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6411  -17.8789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6434  -20.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2171  -17.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2194  -20.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0059  -18.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0070  -19.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0542  -17.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0356  -20.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2775  -18.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2338  -19.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7316  -18.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6611  -19.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9183  -17.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8492  -20.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1231  -18.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0504  -19.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3296  -17.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2692  -20.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 17  1  0  0  0  0
  5 19  1  0  0  0  0
  6 18  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
17396435

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C15438

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 117-83-9

> <PUBCHEM_SUBSTANCE_SYNONYM>
117-83-9
Bis(2-butoxyethyl)phthalate
C15438
beta-Butoxyethyl phthalate

> <PUBCHEM_GENERIC_REGISTRY_NAME>
117-83-9

> <PUBCHEM_XREF_EXT_ID>
C15438

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C15438

> <PUBCHEM_CID_ASSOCIATIONS>
8345  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$