HMDB0036311 RDKit 3D Centellasapogenol A 83 87 0 0 0 0 0 0 0 0999 V2000 4.3156 1.9832 2.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6416 1.7113 0.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6994 2.7093 0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1905 0.3011 0.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0489 -0.2939 -0.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5735 -0.5283 -1.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3801 -0.2617 -2.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3645 0.0878 -3.3507 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1627 -0.3717 -3.2947 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1902 -1.9277 -0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6936 -2.1247 -0.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1148 -1.2841 0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -1.9850 1.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7407 0.0146 0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8201 0.4034 -0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4158 1.7708 -0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0404 0.9974 1.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3651 1.0252 0.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0112 -0.3149 1.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4786 -0.0557 0.9689 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8106 0.8331 2.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3514 -1.2751 1.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8112 -0.8856 1.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2875 -0.0608 1.9943 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1016 -0.3410 -0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2530 -1.3478 -1.2643 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1769 0.7591 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6676 2.1157 -0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3392 0.8122 -2.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5439 1.8027 -2.8434 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7266 0.4952 -0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2098 -0.4824 -1.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8596 -1.0385 -1.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4137 -1.3227 0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7531 -2.7667 0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6695 2.9029 2.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7861 1.1352 2.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2647 2.2143 2.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7862 3.5350 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4623 3.1652 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6929 2.2155 0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2804 0.3666 0.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7622 -0.3431 1.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5309 -1.2879 -0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5622 0.3374 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1419 -0.9881 -4.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5992 -2.2551 0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5948 -2.6237 -1.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5474 -3.2163 -0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2343 -1.9271 -1.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1946 -1.3782 2.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0088 -2.9453 1.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5868 -2.1040 2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 1.9952 -1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7529 2.5807 -0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5213 1.9512 1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0444 0.5511 2.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2591 1.0991 -0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9343 1.8949 0.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7068 -0.4526 2.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4916 1.6457 1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8995 1.2936 2.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2232 0.2369 3.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2209 -2.0559 0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2447 -1.6422 2.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3761 -1.8621 1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9184 -0.4415 2.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1259 0.1392 -0.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1708 -1.6628 -1.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4016 2.0084 0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8646 2.8306 -0.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3123 2.6286 -1.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2387 -0.1663 -2.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3973 1.1414 -2.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0029 2.1356 -3.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2447 1.5069 -0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9359 -1.3261 -1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2181 -0.0278 -2.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1082 -0.4156 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8143 -2.0279 -1.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2829 -2.8308 1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1413 -3.4052 0.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2883 -3.2792 -0.2692 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 2 0 7 9 1 0 6 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 14 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 27 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 16 2 1 0 34 19 1 0 15 6 1 0 31 20 1 0 34 12 1 0 1 36 1 0 1 37 1 0 1 38 1 0 3 39 1 0 3 40 1 0 3 41 1 0 4 42 1 0 4 43 1 0 5 44 1 0 5 45 1 0 9 46 1 0 10 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 13 51 1 0 13 52 1 0 13 53 1 0 16 54 1 0 16 55 1 0 17 56 1 0 17 57 1 0 18 58 1 0 18 59 1 0 19 60 1 0 21 61 1 0 21 62 1 0 21 63 1 0 22 64 1 0 22 65 1 0 23 66 1 0 24 67 1 0 25 68 1 0 26 69 1 0 28 70 1 0 28 71 1 0 28 72 1 0 29 73 1 0 29 74 1 0 30 75 1 0 31 76 1 0 32 77 1 0 32 78 1 0 33 79 1 0 33 80 1 0 35 81 1 0 35 82 1 0 35 83 1 0 M END