HMDB0000232 RDKit 3D Quinolinic acid 17 17 0 0 0 0 0 0 0 0999 V2000 -0.6362 2.9060 -0.3603 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9864 1.6739 -0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3279 1.5684 0.1487 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0511 0.6847 -0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3707 1.0614 -0.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3548 0.1532 -0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0968 -1.1738 -0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8533 -1.5283 0.1001 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2003 -0.6362 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4942 -1.1917 0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5661 -0.5960 0.5404 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5445 -2.5777 0.6846 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7301 2.1271 0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5044 2.1321 -0.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3677 0.4914 -0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9301 -1.8866 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0433 -3.2080 0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 9 4 1 0 3 13 1 0 5 14 1 0 6 15 1 0 7 16 1 0 12 17 1 0 M END