HMDB0253550 RDKit 3D Iotalamic acid 29 29 0 0 0 0 0 0 0 0999 V2000 4.6795 -1.3910 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6451 -0.4477 -0.1139 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 -0.7762 -0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0815 -1.9123 -0.9077 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -0.0358 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0788 -0.7704 0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -2.8705 -0.0978 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -0.1872 0.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4918 -0.9427 0.5504 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3466 -1.2185 -0.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5729 -2.0087 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0341 -0.7823 -1.6752 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 1.1729 0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1496 2.1030 1.0051 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1528 1.9364 0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1999 3.3813 0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2711 3.9696 0.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 4.1307 0.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0677 1.3234 0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7643 2.5720 -0.0945 I 0 0 0 0 0 0 0 0 0 0 0 0 5.1584 -1.8990 0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4529 -0.8098 -1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2476 -2.1723 -1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0128 0.3863 0.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7502 -1.3025 1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9034 -2.5566 -1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3859 -2.6883 0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3895 -1.3101 0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8964 5.1065 0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 2 0 8 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 15 19 2 0 19 20 1 0 19 5 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 9 25 1 0 11 26 1 0 11 27 1 0 11 28 1 0 18 29 1 0 M END