-OEChem-07191013272D

  9  9  0     0  0  0  0  0  0999 V2000
   27.5664  -17.0891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3436  -15.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1464  -17.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3627  -17.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9363  -17.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3627  -19.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1399  -15.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9363  -19.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1464  -19.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
47207451

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
D05790

> <PUBCHEM_SUBSTANCE_COMMENT>
Anesthetic [local]
CAS: 90-01-7
LigandBox: D05790
NIKKAJI: J4.312E
Same as: C02323

> <PUBCHEM_SUBSTANCE_SYNONYM>
90-01-7
D05790
Salicyl alcohol
Salicyl alcohol (USAN)

> <PUBCHEM_GENERIC_REGISTRY_NAME>
90-01-7

> <PUBCHEM_XREF_EXT_ID>
D05790

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?dr+D05790

> <PUBCHEM_CID_ASSOCIATIONS>
5146  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$