-OEChem-06231013072D

 16 15  0     0  0  0  0  0  0999 V2000
   37.3679  -17.2380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.1868  -16.4765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.7029  -16.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8910  -17.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5148  -17.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0791  -16.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3266  -16.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1384  -17.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9504  -16.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7622  -17.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.6532  -16.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5741  -16.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.9117  -17.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3859  -17.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1978  -16.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0097  -17.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
583384

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C12995

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 9002-92-0
Same as: D01539 D06450
Laureth 4 is an average of n=4

> <PUBCHEM_SUBSTANCE_SYNONYM>
9002-92-0
C12995
Laureth 4
Laureth 9
Lauromacrogol 400

> <PUBCHEM_GENERIC_REGISTRY_NAME>
9002-92-0

> <PUBCHEM_XREF_EXT_ID>
C12995

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C12995

> <PUBCHEM_CID_ASSOCIATIONS>
24750  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$