HMDB0029833 RDKit 3D Cyclodopa glucoside 44 46 0 0 0 0 0 0 0 0999 V2000 7.2513 0.1667 1.4112 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6644 0.5910 0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2780 1.6348 -0.3064 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3800 0.0921 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2669 1.0931 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0662 0.2476 0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7251 0.4141 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 -0.5868 0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 -0.2866 0.2347 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 -0.4727 0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4711 0.4060 1.0827 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5933 0.9722 0.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3224 1.7391 1.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7067 0.9414 2.6886 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4794 -0.1628 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4619 -1.2631 0.8661 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7933 -0.5854 -1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3472 0.1825 -2.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3115 -0.3669 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 0.8068 -1.7393 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2386 -1.7897 0.8558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4521 -2.8776 1.1969 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6198 -1.9799 0.9967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 -0.9739 0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9288 -0.9785 0.7594 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0121 1.4585 -0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4452 -0.2536 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3995 1.7646 0.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1753 1.7069 -0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3887 1.3961 -0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1562 -1.4900 0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4475 1.6676 -0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2313 2.2113 1.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6788 2.5795 1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5605 1.2916 3.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5099 0.1544 -0.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3338 -1.5174 1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0476 -1.6475 -1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0049 1.1115 -2.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8273 -1.2034 -1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2118 1.2680 -1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5177 -2.9308 1.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9853 -2.9454 1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 -1.5850 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 8 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 25 4 1 0 24 6 1 0 19 10 1 0 3 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 7 30 1 0 10 31 1 0 12 32 1 0 13 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 20 41 1 0 22 42 1 0 23 43 1 0 25 44 1 0 M END