HMDB0242472 RDKit 3D (2-Iodo-5-nitrophenyl)(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)metha... 51 54 0 0 0 0 0 0 0 0999 V2000 -4.3053 -1.4984 -1.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3563 -0.5633 -0.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0066 0.6421 -1.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4095 1.4330 0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 1.4718 1.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9743 1.1198 0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -0.3286 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0102 -0.6973 -1.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6742 -0.4842 -0.4572 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 0.6257 -0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2815 0.4170 0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3262 1.4287 0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0405 2.5603 0.7913 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6867 1.2478 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7174 1.4357 0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0493 1.2796 0.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1035 1.4789 1.3013 N 0 0 0 0 0 4 0 0 0 0 0 0 6.8154 1.8051 2.4646 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4257 1.3304 0.9817 O 0 0 0 0 0 1 0 0 0 0 0 0 6.3057 0.9163 -0.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2752 0.7229 -1.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9554 0.8877 -1.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4496 0.5736 -2.8891 I 0 0 0 0 0 0 0 0 0 0 0 0 1.2457 -0.8806 0.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1536 -1.6213 1.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8508 -2.9286 1.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6482 -3.5046 1.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2461 -2.7359 0.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0225 -1.4199 0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0561 -2.5095 -1.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3471 -1.5612 -2.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -1.1729 -2.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3796 1.2920 -1.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8853 0.3594 -1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6949 2.4636 -0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2767 0.8979 0.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 2.4502 1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4169 0.6498 1.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1436 1.2532 1.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 1.7780 -0.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0063 -0.9309 0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 -1.7501 -1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1429 -0.0067 -1.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2525 1.5347 -0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5368 1.7234 1.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3480 0.7957 -1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5365 0.4376 -2.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0856 -1.1705 1.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -3.5458 2.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4162 -4.5278 1.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2117 -3.1740 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 16 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 11 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 7 2 1 0 29 9 1 0 22 14 1 0 29 24 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 6 39 1 0 6 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 10 44 1 0 15 45 1 0 20 46 1 0 21 47 1 0 25 48 1 0 26 49 1 0 27 50 1 0 28 51 1 0 M CHG 2 17 1 19 -1 M END