-OEChem-06231013072D

 16 15  0     0  0  0  0  0  0999 V2000
   37.3677  -17.4479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.1866  -16.6864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.7028  -16.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8909  -17.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5147  -17.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0790  -16.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3265  -16.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1383  -17.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9503  -16.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7621  -17.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.6530  -16.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5740  -16.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.9115  -17.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3858  -17.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1977  -16.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0096  -17.3943    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>
7848602

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
D01539

> <PUBCHEM_SUBSTANCE_COMMENT>
Pharmaceutic aid [surfactant]
CAS: 9002-92-0
LigandBox: D01539
Same as: C12995
average n=4

> <PUBCHEM_SUBSTANCE_SYNONYM>
9002-92-0
Brij 30
Brij 30 (TN)
D01539
Laureth 4
Laureth 4 (USAN)

> <PUBCHEM_GENERIC_REGISTRY_NAME>
9002-92-0

> <PUBCHEM_XREF_EXT_ID>
D01539

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?dr+D01539

> <PUBCHEM_CID_ASSOCIATIONS>
24750  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$