-OEChem-10311114432D

 10 10  0     0  0  0  0  0  0999 V2000
    1.6611  -40.0031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3744  -41.2519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9407  -40.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9372  -41.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2245  -40.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2245  -41.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958  -40.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958  -41.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540  -41.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2256  -39.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
854323

> <PUBCHEM_SUBSTANCE_VERSION>
6

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C14087

> <PUBCHEM_SUBSTANCE_COMMENT>
Pathway: <a href="http://www.genome.jp/kegg-bin/show_pathway?map00626+C14087">map00626</a> Naphthalene degradation
Is a reactant of enzyme EC: 1.2.1.-
Is a reactant of enzyme EC: 4.2.1.-

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Hydroxy-3-methylbenzaldehyde
3-Methylsalicylaldehyde
824-42-0
C14087

> <PUBCHEM_GENERIC_REGISTRY_NAME>
824-42-0

> <PUBCHEM_XREF_EXT_ID>
C14087

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd:C14087

> <PUBCHEM_CID_ASSOCIATIONS>
522777  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$