HMDB0249669 RDKit 3D Cardenolide 59 63 0 0 0 0 0 0 0 0999 V2000 2.6745 -0.9911 1.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1582 -0.7301 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5735 -1.8963 -0.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6445 -1.5564 -1.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8165 -0.9080 -1.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3494 0.3835 -0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8261 0.4980 -0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5121 1.7474 0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0293 1.8267 0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2969 0.9232 -0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6738 -0.5410 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1045 -1.2518 1.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3212 -0.6619 1.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8929 0.5602 1.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8178 1.6734 2.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2685 0.5705 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7931 -0.5637 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3034 -1.7031 -0.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3111 -2.4831 -1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 -3.6229 -1.9005 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4746 -1.7662 -1.3819 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2345 -0.5849 -0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2978 1.8576 -0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8515 2.1832 -0.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1668 0.9527 -0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 -0.8473 1.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5449 -2.0500 1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2936 -0.3556 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6918 -2.2799 -1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9092 -2.7664 -0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0197 -2.5092 -2.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2804 -0.9549 -2.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6270 -0.7629 -1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1868 -1.6249 -0.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8199 0.5986 0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6796 1.2234 -1.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5211 0.6681 -1.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1443 1.7222 1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8423 2.6339 -0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7347 2.8711 0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9699 1.5838 1.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6082 1.2593 -1.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3872 -1.0003 -1.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3264 -2.3201 0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -1.4351 1.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1917 -0.4940 2.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1492 -1.4386 1.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4825 1.2161 3.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2266 2.5302 1.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8475 2.0203 2.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9951 0.8116 1.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3172 -2.0708 -0.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4084 0.3300 -1.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8979 -0.4219 0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7710 1.5603 -1.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8341 2.6767 0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5872 3.1079 -0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6977 2.4325 -1.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4733 0.1701 -0.9879 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 16 23 1 0 23 24 1 0 24 25 1 0 7 2 1 0 25 10 1 0 11 2 1 0 25 14 1 0 22 17 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 10 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 15 48 1 0 15 49 1 0 15 50 1 0 16 51 1 0 18 52 1 0 22 53 1 0 22 54 1 0 23 55 1 0 23 56 1 0 24 57 1 0 24 58 1 0 25 59 1 0 M END