HMDB0000715 RDKit 3D Kynurenic acid 21 22 0 0 0 0 0 0 0 0999 V2000 3.3355 -1.7534 0.6696 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 -0.6215 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 0.1022 -0.2303 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7639 -0.1445 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5045 1.0893 -0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1883 1.5033 -0.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0809 2.6244 -1.1788 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8693 0.7233 -0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1758 1.1457 -0.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 0.3440 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9070 -0.8997 0.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6061 -1.3035 0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5631 -0.5189 0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7296 -0.9026 0.4066 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0562 -0.2461 -0.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3459 1.6889 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4334 2.1085 -0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2494 0.6621 -0.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7423 -1.4991 0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -2.2576 1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9505 -1.8447 0.8299 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 4 1 0 13 8 1 0 3 15 1 0 5 16 1 0 9 17 1 0 10 18 1 0 11 19 1 0 12 20 1 0 14 21 1 0 M END