-OEChem-05171211432D

 10 10  0     0  0  0  0  0  0999 V2000
   21.5060  -22.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6376  -25.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8332  -20.2203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0624  -22.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2749  -23.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8500  -23.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8500  -24.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2749  -24.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0624  -25.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0624  -20.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7  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>
7911

> <PUBCHEM_SUBSTANCE_VERSION>
8

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C05585

> <PUBCHEM_SUBSTANCE_COMMENT>
Pathway: <a href="http://www.genome.jp/kegg-bin/show_pathway?map00350+C05585">map00350</a> Tyrosine metabolism
Is a reactant of enzyme EC: 1.2.1.29
Is a reactant of enzyme EC: 1.2.3.1
Is a reactant of enzyme EC: 1.13.12.-
Is a reactant of enzyme EC: 4.1.1.-

> <PUBCHEM_SUBSTANCE_SYNONYM>
2,5-Dihydroxybenzaldehyde
C05585
Gentisate aldehyde

> <PUBCHEM_XREF_EXT_ID>
C05585

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd:C05585

> <PUBCHEM_CID_ASSOCIATIONS>
70949  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$