-OEChem-06231013072D

 16 15  0     0  0  0  0  0  0999 V2000
   26.1773  -17.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1200  -18.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8353  -18.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6022  -17.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0415  -17.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3897  -18.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2233  -18.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4176  -17.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6053  -18.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7966  -17.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9649  -18.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9858  -18.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7524  -17.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1763  -17.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3660  -18.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5563  -17.8567    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>
7849055

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
D01993

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 3055-99-0
DrugBank: DB03538
LigandBox: D01993
Therapeutic category: 3329
ATC code: C05BB02
average polymer, n=9

> <PUBCHEM_SUBSTANCE_SYNONYM>
3055-99-0
Aethoxysklerol
Aethoxysklerol (TN)
D01993
Polidocanol
Polidocanol (JAN)

> <PUBCHEM_GENERIC_REGISTRY_NAME>
3055-99-0

> <PUBCHEM_XREF_EXT_ID>
D01993

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?dr+D01993

> <PUBCHEM_CID_ASSOCIATIONS>
24750  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$