-OEChem-06231013072D

 13 13  0     0  0  0  0  0  0999 V2000
   30.7262  -13.1327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3049  -13.1391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9499  -15.2210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.3570  -13.8331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5221  -15.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5156  -13.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7455  -15.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3177  -15.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7455  -17.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3177  -17.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5221  -18.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9363  -13.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1469  -13.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
7848620

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
D01557

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 87-28-5
LigandBox: D01557
Therapeutic category: 2649
Component of Air Salonpas (TN)

> <PUBCHEM_SUBSTANCE_SYNONYM>
87-28-5
D01557
Glycol salicylate
Glycol salicylate (JAN)
Norgesic
Norgesic (TN)
Phlogont
Phlogont (TN)

> <PUBCHEM_GENERIC_REGISTRY_NAME>
87-28-5

> <PUBCHEM_XREF_EXT_ID>
D01557

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?dr+D01557

> <PUBCHEM_CID_ASSOCIATIONS>
6880  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$