HMDB0001204 RDKit 3D trans-3-Hydroxycotinine glucuronide 46 48 0 0 0 0 0 0 0 0999 V2000 3.0119 -2.6975 -0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2991 -1.4163 -0.5031 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2912 -1.0036 0.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1105 -1.5663 1.5281 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5256 0.1278 -0.1697 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8082 -0.3033 -0.2697 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6704 0.4920 0.4878 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1909 -0.2970 1.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5486 -0.3531 1.5461 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0107 -1.1745 2.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2155 -1.3917 2.9437 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0677 -1.7773 3.4814 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0554 -0.8113 0.2007 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3765 -1.2200 0.2262 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9028 0.4329 -0.6853 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0333 0.0312 -2.0162 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6423 1.1557 -0.4139 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9397 2.4357 0.0555 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 0.3102 -1.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5118 -0.3141 -1.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5648 0.6052 -0.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4981 1.0448 -1.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5185 1.9223 -1.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5661 2.3357 -0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6464 1.8975 0.6853 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 1.0536 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8858 -2.5786 0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3016 -2.9587 -1.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3591 -3.5244 -0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 1.0044 0.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0354 1.2650 0.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9241 0.6928 1.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0203 -1.4595 4.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3596 -1.5846 -0.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4248 -2.0766 0.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7829 1.0644 -0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5889 -0.8702 -2.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 1.3246 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 2.9543 -0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5279 -0.1531 -2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2551 1.4124 -1.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7543 -0.7952 -2.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5087 0.7554 -2.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2543 2.2727 -2.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3659 3.0239 0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9418 0.7128 1.0261 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 1 7 31 1 1 9 32 1 1 12 33 1 0 13 34 1 6 14 35 1 0 15 36 1 1 16 37 1 0 17 38 1 6 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