HMDB0032831 RDKit 3D 22-Angeloyltheasapogenol A 98102 0 0 0 0 0 0 0 0999 V2000 -6.8068 -4.1488 0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3850 -2.8206 1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7388 -1.7175 1.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3695 -0.4152 1.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3910 -1.7226 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8285 -2.8121 0.1056 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7344 -0.5669 0.1016 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4235 -0.5148 -0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6793 -0.0550 -1.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9410 -0.5412 -2.2724 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 1.3855 -2.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3986 1.5469 -3.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8878 2.0671 -1.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4144 2.0508 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8002 1.4333 -0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2838 1.2732 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4727 2.3387 -0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9654 2.3584 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3331 0.9512 0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7149 0.7421 0.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6587 0.1101 2.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4305 2.0636 0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8787 1.9122 1.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3977 0.5162 1.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8109 0.6081 1.2187 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9552 -0.2191 0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7959 0.4475 -1.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5438 -1.6092 0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1557 -2.3412 1.2512 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 -0.1318 -0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 -1.4407 -0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3856 -1.3477 -0.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7942 0.0476 -0.7946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0141 0.5314 -2.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2915 -0.0685 -0.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1783 -0.6545 -1.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1767 -1.0060 0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4858 -0.6931 1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1829 -1.8735 1.2854 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4384 0.2288 0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3065 0.7550 1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8641 -0.3241 2.1998 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4950 -4.9532 1.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8765 -4.2760 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6124 -4.2898 -0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3738 -2.7457 1.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7507 0.4367 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4755 -0.2445 2.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3497 -0.3182 0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1378 -1.6120 -0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9755 -0.6071 -2.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8463 -1.5255 -2.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 2.6216 -3.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3978 1.2238 -3.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2235 0.9742 -4.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5573 1.9218 -2.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3188 1.7246 -0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6642 3.1462 -1.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6087 2.2577 -2.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7858 3.1197 -1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 2.2375 0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0003 3.3084 0.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2482 3.0247 0.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4304 2.7858 -1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6549 0.8035 1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0139 -0.9165 2.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0846 0.7761 2.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5719 0.0270 2.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 2.7214 0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9374 2.5878 1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5254 2.4710 0.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1210 2.3889 2.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2329 -0.0248 2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1050 1.5177 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8347 0.4023 -0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 1.4646 -1.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6851 -0.2226 -1.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4548 -2.1573 -0.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6582 -1.4450 0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0858 -3.3075 1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4314 0.3777 -1.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9608 -2.1070 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4275 -1.9913 -1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2852 -1.8255 -1.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8115 -2.0449 -0.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4214 -0.2885 -2.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6749 1.3731 -2.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 0.8521 -2.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9174 -1.4924 -1.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5973 -1.1139 -2.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7506 0.1114 -2.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -2.0215 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -1.0534 1.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2742 -0.2932 2.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8442 -2.5852 0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1160 1.3887 1.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6032 1.2618 2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7694 -0.1888 3.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 14 15 1 0 15 16 1 0 16 17 2 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 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 26 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 1 0 40 8 1 0 40 15 1 0 35 16 1 0 33 19 1 0 30 20 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 4 47 1 0 4 48 1 0 4 49 1 0 8 50 1 0 9 51 1 0 10 52 1 0 12 53 1 0 12 54 1 0 12 55 1 0 13 56 1 0 13 57 1 0 13 58 1 0 14 59 1 0 14 60 1 0 15 61 1 0 17 62 1 0 18 63 1 0 18 64 1 0 19 65 1 0 21 66 1 0 21 67 1 0 21 68 1 0 22 69 1 0 22 70 1 0 23 71 1 0 23 72 1 0 24 73 1 0 25 74 1 0 27 75 1 0 27 76 1 0 27 77 1 0 28 78 1 0 28 79 1 0 29 80 1 0 30 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 34 86 1 0 34 87 1 0 34 88 1 0 36 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 39 95 1 0 41 96 1 0 41 97 1 0 42 98 1 0 M END