HMDB0039495 RDKit 3D 2-(Malonylamino)benzoic acid 25 25 0 0 0 0 0 0 0 0999 V2000 5.3720 -0.0748 0.1698 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2255 -0.0903 -0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1116 -0.1345 -1.7131 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0832 -0.0583 0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7755 -0.0807 -0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8553 -0.1209 -1.3737 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5604 -0.0562 0.5615 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7525 -0.0703 0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9813 -0.1144 -1.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2743 -0.1287 -1.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3751 -0.1012 -0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1567 -0.0581 0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 -0.0423 0.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7291 0.0041 2.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 0.0250 3.0416 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 0.0309 3.1386 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1668 0.7216 -2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1717 0.9196 1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 -0.9175 1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 -0.0217 1.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1407 -0.1369 -1.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3782 -0.1636 -2.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3823 -0.1138 -1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9934 -0.0345 1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5435 0.8176 3.0505 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 1 0 5 6 2 0 5 7 1 0 7 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 15 2 0 14 16 1 0 13 8 1 0 3 17 1 0 4 18 1 0 4 19 1 0 7 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 16 25 1 0 M END