HMDB0060830 RDKit 3D Melatonin glucuronide 53 55 0 0 0 0 0 0 0 0999 V2000 2.9175 5.5232 1.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9722 4.2151 0.9129 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8796 3.4176 0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5749 3.8299 0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4619 2.9742 0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2449 1.6847 -0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0784 1.2852 -0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1212 2.1511 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0269 -0.0027 -0.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2107 -0.8295 -0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8791 -1.3769 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0168 -2.1638 -0.0848 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8157 -2.7905 0.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0018 -3.6139 0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5089 -2.6426 2.1404 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3039 -0.3516 -0.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0661 0.6905 -0.4246 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5379 0.7439 -0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9265 0.3092 0.7868 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8111 -0.6844 0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -1.9170 1.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8993 -1.9323 1.5504 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8651 -3.0556 1.6106 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7779 -0.9350 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4228 -2.1470 0.0608 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9302 -1.0932 -1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7897 -1.3279 -2.5013 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0514 0.1134 -1.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -0.2313 -2.5968 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7499 6.2058 0.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8925 5.7552 1.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 5.6055 2.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3707 4.8416 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4687 3.3316 0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1281 1.7850 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9722 -0.2741 -1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9029 -1.7089 -1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0912 -0.5637 0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1192 -2.0499 0.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2696 -2.2839 -1.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8646 -2.9343 0.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8007 -4.1270 -0.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1867 -4.3698 1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6205 -1.3319 -1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 1.8536 -0.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4777 -0.4023 1.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3190 -3.1590 2.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4637 -0.0795 -0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0678 -2.8784 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3383 -2.0249 -1.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6078 -0.7569 -3.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7194 0.8505 -2.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2562 -1.1273 -2.9959 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 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 2 0 9 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 20 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 8 3 1 0 28 18 1 0 17 6 1 0 1 30 1 0 1 31 1 0 1 32 1 0 4 33 1 0 5 34 1 0 8 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 14 41 1 0 14 42 1 0 14 43 1 0 16 44 1 0 18 45 1 0 20 46 1 0 23 47 1 0 24 48 1 0 25 49 1 0 26 50 1 0 27 51 1 0 28 52 1 0 29 53 1 0 M END