-OEChem-05191010092D

  9  8  0     0  0  0  0  0  0999 V2000
   23.3260  -13.5231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5369  -15.4889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9044  -19.1262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6938  -16.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1152  -15.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3260  -14.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1152  -16.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9044  -17.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9044  -14.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  6  1  0  0  0  0
  3  8  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
4868

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C01732

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 498-24-8
PDB-CCD: MEZ
3DMET: B00338
Is a reactant or product of enzyme EC 4.2.1.34
Is a reactant or product of enzyme EC 4.3.1.2

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Methylfumarate
498-24-8
C01732
Mesaconate
Mesaconic acid
Methylfumaric acid

> <PUBCHEM_GENERIC_REGISTRY_NAME>
498-24-8

> <PUBCHEM_XREF_EXT_ID>
C01732

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C01732

> <PUBCHEM_CID_ASSOCIATIONS>
638129  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$