-OEChem-01131113502D

 28 27  0     1  0  0  0  0  0999 V2000
   30.6882  -14.1075    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.0930  -15.4993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2791  -14.1659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1614  -14.1602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.6883  -12.5528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8936  -17.5837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0722  -16.1921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2776  -14.1075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.6882  -15.4993    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   31.8936  -16.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4829  -16.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2776  -15.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2926  -16.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4979  -15.4993    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   25.8728  -15.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6675  -16.1921    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   36.7033  -16.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4979  -14.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4621  -15.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6675  -17.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9086  -15.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2626  -16.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7033  -13.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4621  -18.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.1139  -16.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0515  -15.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.3191  -15.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8461  -16.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  6 10  2  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 23  1  0  0  0  0
 19 22  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10076

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C07874

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 10041-19-7
NIKKAJI: J8.977J

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,4-Bis(2-ethylhexyl) sulfosuccinate
10041-19-7
C07874
Docusate hydrogen

> <PUBCHEM_GENERIC_REGISTRY_NAME>
10041-19-7

> <PUBCHEM_XREF_EXT_ID>
C07874

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C07874

> <PUBCHEM_CID_ASSOCIATIONS>
11339  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$