Marvin  11230609062D          

  8  7  0  0  0  0            999 V2000
    0.3572   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2062    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  1  3  2  0  0  0  0
  3  7  1  0  0  0  0
  7  4  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
M  CHG  1   2  -1
M  END
> <ID>
CHEBI:37154

> <NAME>
fumarate(1-)

> <DEFINITION>
A hydrogen butenedioate obtained by deprotonation of one of the carboxy groups of fumaric acid.

> <STAR>
3

> <SYNONYM>
hydrogen fumarate; fumarate monoanion; (2E)-3-carboxyacrylate

> <IUPAC_NAME>
(2E)-3-carboxyprop-2-enoate

> <FORMULA>
C4H3O4

> <MASS>
115.06422

> <MONOISOTOPIC_MASS>
115.00368

> <CHARGE>
-1

> <SMILES>
OC(=O)\C=C\C([O-])=O

> <INCHI>
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-1/b2-1+

> <INCHIKEY>
VZCYOOQTPOCHFL-OWOJBTEDSA-M

> <GMELIN_REGISTRY_NUMBER>
325290

> <REAXYS_REGISTRY_NUMBER>
1906438

$$$$