-OEChem-06111213162D

  5  4  0     0  0  0  0  0  0999 V2000
   30.4255  -20.5745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.9964  -20.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2078  -19.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7850  -19.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5673  -20.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
4600

> <PUBCHEM_SUBSTANCE_VERSION>
8

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C01412

> <PUBCHEM_SUBSTANCE_COMMENT>
Pathway: <a href="http://www.genome.jp/kegg-bin/show_pathway?map00650+C01412">map00650</a> Butanoate metabolism
Is a reactant of enzyme EC: 1.1.1.-
Is a reactant of enzyme EC: 1.2.1.10
Is a reactant of enzyme EC: 1.2.1.57

> <PUBCHEM_SUBSTANCE_SYNONYM>
123-72-8
Butanal
Butyraldehyde
C01412

> <PUBCHEM_GENERIC_REGISTRY_NAME>
123-72-8

> <PUBCHEM_XREF_EXT_ID>
C01412

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd:C01412

> <PUBCHEM_CID_ASSOCIATIONS>
261  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$