-OEChem-05191010092D

  9  8  0     0  0  0  0  0  0999 V2000
    3.2793   -0.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517    2.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4379    0.5931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103   -1.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241   -1.7586    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>
153625

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000498248

> <PUBCHEM_SUBSTANCE_COMMENT>
Natural Product

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Butenedioic acid, 2-methyl-, (2E)-
2-Butenedioic acid, 2-methyl-, (E)- (9CI)
2-Methylfumaric acid
4-02-00-02231 (Beilstein Handbook Reference)
498-24-8
BRN 1722680
Butenedioic acid, methyl-, (E)-
EINECS 207-859-2
Fumaric acid, methyl-
Kyselina mesakonova
Kyselina mesakonova [Czech]
Mesaconate
Mesaconic acid
Methylfumaric acid
NSC 65438
trans-1-Propene-1,2-dicarboxylic acid
trans-2-Methyl-2-butenedioic acid

> <PUBCHEM_GENERIC_REGISTRY_NAME>
498-24-8

> <PUBCHEM_XREF_EXT_ID>
000498248

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=000498248

> <PUBCHEM_CID_ASSOCIATIONS>
638129  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$