Marvin 10110710532D 13 12 0 0 0 0 999 V2000 -0.7145 0.8250 0.0000 N 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 -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 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 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 1.4289 0.4125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 H 0 3 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 10 7 2 0 0 0 0 12 7 1 0 0 0 0 8 3 1 0 0 0 0 11 8 2 0 0 0 0 9 8 1 0 0 0 0 M CHG 3 9 -1 12 -1 13 1 M END > CHEBI:46828 > quinolinate(1-) > A carboxypyridinecarboxylate that is the conjugate base of quinolinic acid. > 3 > hydrogen pyridine-2,3-dicarboxylate > C7H4NO4 > 166.11100 > 166.01458 > -1 > [H+].[O-]C(=O)c1cccnc1C([O-])=O > 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-1 > GJAWHXHKYYXBSV-UHFFFAOYSA-M $$$$