HMDB0040963 RDKit 3D Matesaponin 2 160168 0 0 0 0 0 0 0 0999 V2000 6.9701 -4.3449 0.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0179 -2.8530 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6540 -2.7569 2.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8581 -1.3474 2.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1364 -0.3121 2.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2647 0.6194 1.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2239 1.7925 2.1417 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3050 0.2597 0.9117 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3180 1.1868 0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2836 1.4941 -0.7921 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2030 0.8155 -1.5514 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9273 1.1647 -3.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0654 2.5450 -3.1904 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6002 1.2899 -1.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5543 0.4452 -1.8303 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7828 1.4205 0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9522 2.7784 0.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6745 0.7769 1.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8337 1.1821 2.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2251 0.5062 2.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9313 0.9709 2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 -0.1899 1.8024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9847 -1.1663 2.9787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0297 -0.7322 0.7668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5794 -1.1737 -0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0873 -1.1145 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5573 0.1664 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2234 0.4769 -0.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0491 1.9425 -0.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0296 -0.1932 -2.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 0.1235 -2.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3774 0.6053 -1.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6243 0.1812 -2.2759 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4664 1.1457 -2.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 0.9743 -4.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9849 -0.3065 -4.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5462 -1.1078 -3.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3567 -2.1078 -3.8465 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4955 -0.2625 -2.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7808 -0.9568 -1.2099 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0711 -1.4221 -1.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1009 -2.8244 -1.4385 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1774 -3.4934 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6386 -4.9131 -0.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7813 -5.4851 0.9111 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6069 -3.4807 0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6131 -3.9105 1.5782 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0743 -2.0439 0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9969 -1.9358 -0.8792 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9278 -1.0880 -0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2761 -0.9197 1.1283 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9092 1.0788 -2.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1360 1.7645 -1.0473 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7622 2.9681 -1.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8179 3.9600 -0.9196 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7487 4.2749 0.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3486 4.5086 0.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3564 3.2052 1.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2447 3.6685 2.6226 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8515 3.1776 0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4863 2.0989 1.5913 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0074 3.2496 -0.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1139 2.5370 -0.9567 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2831 0.2199 -0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1856 -1.0241 -0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9712 1.2726 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8978 -0.1266 0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6999 -0.1138 1.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6709 -0.6691 1.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7698 0.2210 1.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4978 1.6011 1.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5228 -0.8046 0.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0296 -2.0914 0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6556 -1.9299 -1.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0873 -4.7525 1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8440 -4.8771 1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7594 -4.4957 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0601 -2.5449 0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6501 -3.1401 2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3956 -3.3711 3.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4637 -1.2498 4.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9437 -1.1792 3.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0669 2.1608 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1429 -0.2759 -1.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8991 0.8487 -3.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7024 0.6935 -3.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4501 2.8918 -3.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7510 2.2901 -1.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7517 -0.3488 -1.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7350 0.9165 0.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8782 3.0763 0.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8556 -0.3318 0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3446 2.0268 2.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0946 -0.0354 3.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7259 1.4721 3.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3529 1.3607 3.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1116 1.7374 1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3465 -2.0411 2.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6285 -0.6462 3.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9591 -1.5775 3.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1871 -1.5858 -1.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 -1.0379 -1.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6955 -2.0416 -0.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2594 0.9704 -0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1377 2.1661 -2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 2.4714 -0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0687 2.4143 -0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -1.2943 -1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8665 0.2565 -2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1068 0.8914 -3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -0.7523 -3.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 1.7323 -1.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1243 2.1918 -2.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1457 -0.9220 -4.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7345 -0.2260 -5.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 -1.6853 -2.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1898 -2.9694 -3.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4354 -0.2436 -2.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5906 -1.0458 -2.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5518 -2.9925 0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5469 -4.8108 -0.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1688 -5.5297 -1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2009 -6.3855 0.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2131 -4.1450 -0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5151 -3.8752 1.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5336 -1.7570 1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8539 -1.6049 -0.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4172 -0.0944 -0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9277 -1.0198 1.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4296 1.7487 -3.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9720 3.1567 -2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3431 5.2066 0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6839 4.5472 0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3024 5.5215 1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0268 3.7261 1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8860 2.2291 1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6872 4.5548 2.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3400 4.0945 1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4036 2.3017 1.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2739 4.3293 -0.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9593 3.0318 -0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2517 -0.7115 -0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9082 -1.4775 0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0540 -1.6867 -1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7677 0.8368 1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5499 1.9587 -0.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 1.8354 1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8141 -1.2421 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9496 0.7819 2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4061 -0.8992 2.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -0.8418 2.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7544 -1.6438 1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 2.3647 1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3643 1.5694 2.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5277 2.0159 1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8501 -0.0428 0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1783 -2.8195 0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4491 -0.9062 -1.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3864 -2.7308 -1.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7614 -1.9604 -0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 5 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 43 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 39 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 58 60 1 0 60 61 1 0 60 62 1 0 62 63 1 0 32 64 1 0 64 65 1 0 64 66 1 0 64 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 24 72 1 0 72 73 1 0 73 74 1 0 73 2 1 0 72 5 1 0 18 9 1 0 70 22 1 0 70 27 1 0 67 28 1 0 52 34 1 0 62 54 1 0 50 41 1 0 1 75 1 0 1 76 1 0 1 77 1 0 2 78 1 0 3 79 1 0 3 80 1 0 4 81 1 0 4 82 1 0 9 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 18 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 23 98 1 0 23 99 1 0 23100 1 0 25101 1 0 26102 1 0 26103 1 0 27104 1 0 29105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 34113 1 0 36114 1 0 36115 1 0 37116 1 0 38117 1 0 39118 1 0 41119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 46124 1 0 47125 1 0 48126 1 0 49127 1 0 50128 1 0 51129 1 0 52130 1 0 54131 1 0 56132 1 0 57133 1 0 57134 1 0 57135 1 0 58136 1 0 59137 1 0 60138 1 0 61139 1 0 62140 1 0 63141 1 0 65142 1 0 65143 1 0 65144 1 0 66145 1 0 66146 1 0 66147 1 0 67148 1 0 68149 1 0 68150 1 0 69151 1 0 69152 1 0 71153 1 0 71154 1 0 71155 1 0 72156 1 0 73157 1 0 74158 1 0 74159 1 0 74160 1 0 M END