HMDB0039028 RDKit 3D Celereoside 54 57 0 0 0 0 0 0 0 0999 V2000 -1.2424 0.7956 1.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6398 0.9443 0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9799 2.3730 -0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8254 0.0254 -0.6795 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8939 -0.3504 -1.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 0.6370 -0.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0876 0.3299 -0.7008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9314 1.2391 0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2661 0.9117 -0.0406 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5703 -1.0671 -0.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0888 -1.2518 0.7094 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5137 -2.1206 -0.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9656 -3.3438 -0.2867 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1976 -1.7172 -0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1912 -2.5129 -0.6613 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8827 1.0273 0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5033 -0.3077 0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 -0.0843 0.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 0.9617 -0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0194 1.3821 -1.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2516 0.8096 -0.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3529 1.2250 -1.5188 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5359 0.7107 -1.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5786 1.1313 -1.8708 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6469 -0.3390 -0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5098 -0.8213 0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2991 -0.2513 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1202 -0.6837 0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1271 -1.7248 1.4563 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5249 1.3998 -0.7318 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3108 0.9216 1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8399 1.6666 2.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8205 -0.0796 2.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9782 2.6958 0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8728 2.4971 -1.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 3.0774 0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6719 -0.6240 -1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3602 0.6776 -1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6769 0.9965 1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7449 2.2990 -0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8373 1.7082 -0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3966 -1.3009 -1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0634 -1.4073 0.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3928 -2.2882 -1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3486 -3.2924 0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2232 -1.2540 0.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7822 -3.0968 0.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1198 1.7523 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4629 -0.6559 1.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0111 -1.0957 0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0029 2.2024 -1.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6068 -0.8160 -0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5835 -1.6472 0.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9036 -2.2646 1.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 2 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 19 30 1 0 14 5 1 0 30 16 1 0 28 18 1 0 27 21 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 3 35 1 0 3 36 1 0 5 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 10 42 1 0 11 43 1 0 12 44 1 0 13 45 1 0 14 46 1 0 15 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 20 51 1 0 25 52 1 0 26 53 1 0 29 54 1 0 M END