Mrv0541 04161414312D          

 14 14  0  0  0  0            999 V2000
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  1  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6 13  2  0  0  0  0
  4  7  2  0  0  0  0
  7 14  1  0  0  0  0
  1  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
M  CHG  4   8  -1   9   1  10  -1  11  -1
M  END
> <ID>
CHEBI:77620

> <NAME>
5-oxido-6-methylpyridinium-3,4-dicarboxylate

> <DEFINITION>
A pyridinedicarboxylate that is the major structure of 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid at pH 7.3.

> <STAR>
3

> <SYNONYM>
5-hydroxy-6-methylpyridine-3,4-dicarboxylate

> <IUPAC_NAME>
6-methyl-5-oxidopyridinium-3,4-dicarboxylate

> <FORMULA>
C8H5NO5

> <MASS>
195.13010

> <MONOISOTOPIC_MASS>
195.01787

> <CHARGE>
-2

> <SMILES>
Cc1[nH+]cc(C([O-])=O)c(C([O-])=O)c1[O-]

> <INCHI>
InChI=1S/C8H7NO5/c1-3-6(10)5(8(13)14)4(2-9-3)7(11)12/h2,10H,1H3,(H,11,12)(H,13,14)/p-2

> <INCHIKEY>
LVJJEIJOKPHQOU-UHFFFAOYSA-L

$$$$