HMDB0245897 RDKit 3D 3-Hydroxycotinine glucuronide 46 48 0 0 0 0 0 0 0 0999 V2000 -3.1689 -0.1630 2.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4066 -0.2370 1.7054 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9846 0.0452 1.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 0.6827 2.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4178 -0.5744 0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7483 0.0335 0.0481 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8007 -0.8765 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7494 -0.5391 0.9246 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 0.5183 0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4141 0.8548 1.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3506 0.2121 2.8104 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3448 1.9034 1.6818 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4492 0.0718 -0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5622 -0.5346 0.0387 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8098 -0.8168 -1.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4488 -2.0656 -1.5134 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3379 -0.9866 -1.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6779 -0.0485 -2.2091 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5852 -0.2981 -0.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8257 -0.5805 0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9459 0.1497 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8951 0.5563 -1.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9146 1.2540 -2.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0260 1.5569 -1.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0962 1.1783 -0.1046 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0941 0.4962 0.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5714 0.8504 3.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4978 -0.2960 3.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9085 -0.9600 3.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3395 -1.6436 0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3901 -1.8643 0.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9844 1.4411 0.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1447 2.6428 1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8406 1.0184 -1.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3171 -0.9239 0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0093 -0.3942 -2.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9476 -2.2544 -2.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0787 -1.9861 -1.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2755 0.3437 -2.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 0.7201 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5902 -1.0161 -1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0037 -1.6945 0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0376 0.3104 -2.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8875 1.5759 -3.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8729 2.1127 -1.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2281 0.2245 1.4952 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 9 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 5 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 20 2 1 0 26 21 1 0 17 7 1 0 1 27 1 0 1 28 1 0 1 29 1 0 5 30 1 0 7 31 1 0 9 32 1 0 12 33 1 0 13 34 1 0 14 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 20 42 1 0 22 43 1 0 23 44 1 0 24 45 1 0 26 46 1 0 M END