Mrv0541 09011411322D          

 12 12  0  0  0  0            999 V2000
    9.4241   -5.1091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1386   -4.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1386   -3.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4241   -3.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7097   -3.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7097   -4.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8531   -5.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5675   -4.6966    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.8531   -3.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5675   -3.8716    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.8531   -5.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8531   -2.6341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
 11  7  2  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 12  9  2  0  0  0  0
 10  9  1  0  0  0  0
M  CHG  2   8  -1  10  -1
M  END
> <ID>
CHEBI:29959

> <NAME>
quinolinate(2-)

> <STAR>
3

> <SECONDARY_ID>
CHEBI:14975; CHEBI:26417

> <SYNONYM>
quinolinate; quinolinate

> <IUPAC_NAME>
pyridine-2,3-dicarboxylate

> <FORMULA>
C7H3NO4

> <MASS>
165.10410

> <MONOISOTOPIC_MASS>
165.00730

> <CHARGE>
-2

> <SMILES>
[O-]C(=O)c1cccnc1C([O-])=O

> <INCHI>
InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)/p-2

> <INCHIKEY>
GJAWHXHKYYXBSV-UHFFFAOYSA-L

> <GMELIN_REGISTRY_NUMBER>
329233

$$$$