-OEChem-03261011582D

 11 11  0     0  0  0  0  0  0999 V2000
    0.5241    0.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276    0.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448   -0.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862    0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172   -0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6276   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  8  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
8145

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C05852

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 614-75-5
PDB-CCD: OHP
3DMET: B00868
Is a reactant or product of enzyme EC 1.13.11.27
Is a reactant or product of enzyme EC 1.14.13.-

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Hydroxyphenylacetate
614-75-5
C05852

> <PUBCHEM_GENERIC_REGISTRY_NAME>
614-75-5

> <PUBCHEM_XREF_EXT_ID>
C05852

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C05852

> <PUBCHEM_CID_ASSOCIATIONS>
11970  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$