HMDB0036397 RDKit 3D Labadoside 96101 0 0 0 0 0 0 0 0999 V2000 -3.9352 -4.8211 -0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6577 -4.1384 -0.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6959 -4.9416 -0.9955 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3713 -2.7264 -0.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -2.3383 -0.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0151 -3.3168 -1.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6779 -1.0144 -0.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -0.5884 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1103 -0.2531 -2.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1258 -0.3321 -3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3851 0.1478 -2.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 0.4974 -4.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2267 0.9191 -4.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0409 0.4485 -5.0977 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3016 0.2180 -1.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5474 0.6141 -1.9762 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9293 -0.1094 -0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8074 -0.0415 0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1011 0.3553 0.4615 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1360 0.5134 1.3622 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6351 1.8264 1.1727 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6310 2.1238 2.0787 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9883 3.5942 1.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9844 4.0152 2.7125 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8381 1.2720 1.7555 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8461 1.5285 2.6534 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4057 -0.1888 1.8871 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4464 -1.0317 1.5748 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2835 -0.3987 0.8913 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8769 -1.7149 0.8225 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3501 -0.3791 1.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0427 -0.7738 2.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -0.8417 1.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6097 -0.5063 -0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6453 -0.0779 -0.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2413 1.2613 -0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1857 2.2025 -0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4907 1.8440 -0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9096 0.5328 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1835 0.1256 0.2501 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3020 0.8866 0.5741 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7634 0.6530 1.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0917 0.7614 2.0846 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.7724 -0.6006 2.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2121 -1.2586 3.3836 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8859 1.6484 1.1916 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.1124 2.9245 1.7539 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4087 1.7756 -0.2109 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.4555 1.7506 -1.1379 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3816 0.7163 -0.4728 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7919 1.0279 -1.7157 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9306 -0.4269 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3376 -1.7645 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6136 -2.0192 -0.0577 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3097 -4.6770 0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6698 -4.5021 -1.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -5.9618 -0.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9655 -2.7380 -1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1663 -3.8540 -2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2849 -3.9956 -0.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0031 0.6625 -4.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8864 -0.5935 -3.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 -1.0503 -4.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 1.8522 -3.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9949 0.1443 -4.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3658 1.0519 -5.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3596 0.7236 -1.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9028 0.3305 2.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2711 1.9595 3.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2658 3.7206 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1070 4.2429 2.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8457 3.9330 2.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1244 1.4909 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7004 1.6736 2.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9807 -0.3337 2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3049 -1.9147 1.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5691 -0.0191 -0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4845 -1.9690 -0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0453 -0.3205 2.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7206 -1.0318 3.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1516 -1.1557 1.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2138 1.4950 -0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9021 3.2413 -0.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2308 2.6101 0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0346 1.9584 0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1844 1.2319 3.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6746 -1.2600 1.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8187 -0.3594 2.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7668 -2.0966 3.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9218 1.1979 1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9017 3.2905 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8670 2.7631 -0.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0700 1.4443 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7626 -0.2964 -0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3201 0.2512 -2.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2095 -2.7198 0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 11 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 18 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 7 35 2 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 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 2 0 53 54 1 0 53 4 1 0 34 8 1 0 52 35 1 0 34 17 1 0 50 41 1 0 29 20 1 0 1 55 1 0 1 56 1 0 1 57 1 0 6 58 1 0 6 59 1 0 6 60 1 0 10 61 1 0 10 62 1 0 10 63 1 0 13 64 1 0 13 65 1 0 13 66 1 0 16 67 1 0 20 68 1 1 22 69 1 1 23 70 1 0 23 71 1 0 24 72 1 0 25 73 1 6 26 74 1 0 27 75 1 1 28 76 1 0 29 77 1 6 30 78 1 0 31 79 1 0 32 80 1 0 33 81 1 0 36 82 1 0 37 83 1 0 38 84 1 0 41 85 1 1 43 86 1 1 44 87 1 0 44 88 1 0 45 89 1 0 46 90 1 6 47 91 1 0 48 92 1 1 49 93 1 0 50 94 1 6 51 95 1 0 54 96 1 0 M END