-OEChem-04091015002D

 10 10  0     0  0  0  0  0  0999 V2000
   18.4037  -17.9199    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.1943  -11.6367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6129  -11.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4100  -13.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4037  -12.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2008  -14.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6320  -14.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4100  -16.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2008  -15.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6320  -15.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  5  2  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
5413

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C02371

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 456-22-4
ChEBI: 20364 27893
Is a reactant or product of enzyme EC 1.14.12.10
Is a reactant or product of enzyme EC 6.2.1.33

> <PUBCHEM_SUBSTANCE_SYNONYM>
4-Fluorobenzoate
4-Fluorobenzoic acid
456-22-4
C02371

> <PUBCHEM_GENERIC_REGISTRY_NAME>
456-22-4

> <PUBCHEM_XREF_EXT_ID>
C02371

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C02371

> <PUBCHEM_CID_ASSOCIATIONS>
9973  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$