HMDB0039944 RDKit 3D Notoginsenoside M 149155 0 0 0 0 0 0 0 0999 V2000 -6.0666 -4.2146 4.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1635 -2.9686 5.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0004 -2.9378 6.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5223 -1.8740 4.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6384 -1.8144 3.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2088 -0.7961 2.7422 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5568 -0.5123 1.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5058 -1.7784 0.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5071 0.2647 0.7339 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7226 -0.2840 0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8932 -0.4680 -0.8658 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5220 0.4389 -1.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9155 0.7218 -2.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7101 1.6898 -3.5853 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9403 1.7105 -0.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6567 2.5590 -1.6997 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7709 1.1866 0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7302 0.2804 -0.1603 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7769 0.5124 1.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1873 1.5758 1.9367 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3392 0.2952 1.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1973 -0.2760 2.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9531 0.4652 1.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2503 0.4296 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1163 -0.9667 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6839 0.9384 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2845 1.0702 -0.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3771 1.9809 -0.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3496 1.8386 -1.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9574 1.2916 -1.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1592 1.7376 -3.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 1.0494 -4.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3841 3.2066 -3.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4328 3.7848 -4.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6606 3.0526 -4.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5527 2.2968 -5.9246 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2492 2.2632 -3.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 1.4535 -4.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9293 3.1911 -2.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2683 1.3010 -2.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8105 0.8143 -1.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 -0.5524 -1.7722 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5402 -0.7830 -1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 -1.3735 -0.3628 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2469 -1.2895 -0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5872 -1.1240 1.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9651 -1.0437 1.3707 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3504 -0.8613 2.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0400 -1.9772 3.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4079 -1.8280 3.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0626 -3.1950 3.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6851 -3.9483 4.1691 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9324 -0.9879 1.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6512 -1.4982 0.7307 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4432 0.4191 2.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3697 1.2640 2.7473 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1159 0.4205 2.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3513 0.5710 4.2543 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7806 -2.5499 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1590 -2.4943 -1.0607 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0477 -2.7351 -2.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2745 -3.8892 -2.0614 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2595 -1.5550 -2.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3539 -2.0850 -3.6133 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0165 0.9087 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3763 1.4013 -0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3736 2.7726 0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0629 -4.6426 4.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7502 -5.0074 4.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4798 -4.0278 3.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9880 -2.4520 6.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1932 -3.9564 6.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4790 -2.3201 7.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5794 -0.9450 5.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6374 -2.8519 3.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6529 -1.5940 4.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0771 0.1968 3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3028 -0.9037 2.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8097 -1.5722 -0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5453 -2.2917 0.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2254 -2.5173 1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8423 -1.3339 0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5325 -0.0262 -1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8520 0.9232 -2.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0779 -0.2076 -3.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5978 1.2620 -3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0499 2.1596 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2643 3.1427 -1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1942 2.0695 0.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3863 -0.6402 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3861 -0.0992 1.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6699 2.4122 1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6777 1.1496 2.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1959 0.0019 3.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0968 -1.3502 2.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0344 1.4504 2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0343 -0.0832 2.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9968 -1.7218 0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0115 -1.1730 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2706 -1.1870 -0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4857 2.0291 0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5481 0.1271 -1.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4969 2.4499 -1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3334 2.9116 -1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7609 1.6321 -2.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1342 0.1798 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0558 0.4028 -4.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6089 0.3465 -3.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2156 1.7315 -4.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4256 3.8508 -2.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4612 3.2666 -3.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7015 4.8363 -4.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 3.9580 -5.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4674 3.8107 -5.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8481 1.3781 -5.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 1.9530 -5.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2619 1.3721 -3.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 0.4505 -4.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 4.1171 -3.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9355 2.8001 -2.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3893 3.5094 -1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3456 0.3943 -3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8116 1.3128 -1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0526 0.2228 -1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6269 -0.4571 -0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0434 -0.2963 1.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2518 -2.0518 1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -0.8082 3.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7015 -1.3181 4.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1562 -3.0637 3.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7195 -3.7585 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1697 -3.6452 4.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0427 -0.9551 2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4467 -1.6062 0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2421 0.8288 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2022 2.2149 2.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4572 1.2570 2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5479 1.4931 4.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5709 -3.3688 -0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5897 -2.9709 -0.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8112 -2.9702 -2.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9771 -4.0203 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9527 -0.9229 -3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4535 -1.9499 -3.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5935 1.6047 0.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1205 -0.0634 0.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0623 2.6982 1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2128 3.4194 -0.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 3.3076 -0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 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 12 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 7 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 1 0 37 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 50 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 45 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 41 65 1 0 65 66 1 0 66 67 1 0 19 10 1 0 26 21 1 0 66 30 1 0 66 24 1 0 40 31 1 0 63 43 1 0 57 48 1 0 1 68 1 0 1 69 1 0 1 70 1 0 3 71 1 0 3 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 6 78 1 0 8 79 1 0 8 80 1 0 8 81 1 0 10 82 1 0 12 83 1 0 13 84 1 0 13 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 18 90 1 0 19 91 1 0 20 92 1 0 21 93 1 0 22 94 1 0 22 95 1 0 23 96 1 0 23 97 1 0 25 98 1 0 25 99 1 0 25100 1 0 26101 1 0 27102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 32107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 38116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 39121 1 0 40122 1 0 41123 1 0 43124 1 0 45125 1 0 46126 1 0 46127 1 0 48128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 53133 1 0 54134 1 0 55135 1 0 56136 1 0 57137 1 0 58138 1 0 59139 1 0 60140 1 0 61141 1 0 62142 1 0 63143 1 0 64144 1 0 65145 1 0 65146 1 0 67147 1 0 67148 1 0 67149 1 0 M END