-OEChem-09021010392D

 11 11  0     0  0  0  0  0  0999 V2000
    3.4506   -7.1424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5815   -8.4109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5922   -7.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833   -7.1752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1406   -8.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495   -8.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1595   -7.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4086   -8.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8286   -9.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4007   -9.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1008  -10.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
13518

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C11343

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 89-73-6
PDB-CCD: SHA
NIKKAJI: J5.157H

> <PUBCHEM_SUBSTANCE_SYNONYM>
89-73-6
C11343
Salicylhydroxamic acid

> <PUBCHEM_GENERIC_REGISTRY_NAME>
89-73-6

> <PUBCHEM_XREF_EXT_ID>
C11343

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C11343

> <PUBCHEM_CID_ASSOCIATIONS>
66644  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$