-OEChem-03131213512D

 12 12  0     0  0  0  0  0  0999 V2000
   22.9450  -16.9272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9332  -19.7325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.2373  -16.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.1582  -17.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1624  -19.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6240  -17.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3542  -16.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3626  -19.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6282  -19.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8124  -16.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0249  -17.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7385  -17.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  2  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8  9  1  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>
7912

> <PUBCHEM_SUBSTANCE_VERSION>
8

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C05587

> <PUBCHEM_SUBSTANCE_COMMENT>
Pathway: <a href="http://www.genome.jp/kegg-bin/show_pathway?map00350+C05587">map00350</a> Tyrosine metabolism
Pathway: <a href="http://www.genome.jp/kegg-bin/show_pathway?map00965+C05587">map00965</a> Betalain biosynthesis
Is a reactant of enzyme EC: 1.4.3.4
Is a reactant of enzyme EC: 2.1.1.6

> <PUBCHEM_SUBSTANCE_SYNONYM>
3-Methoxytyramine
554-52-9
C05587

> <PUBCHEM_GENERIC_REGISTRY_NAME>
554-52-9

> <PUBCHEM_XREF_EXT_ID>
C05587

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd:C05587

> <PUBCHEM_CID_ASSOCIATIONS>
1669  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$