HMDB0039402 RDKit 3D Basellasaponin D 137144 0 0 0 0 0 0 0 0999 V2000 -7.0002 -2.0481 4.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7904 -1.8772 2.9515 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9868 -1.1751 2.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8713 -0.0469 1.9291 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2100 -1.8045 2.5599 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5629 -3.2215 2.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2813 -3.1789 0.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4068 -2.0784 0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2914 -1.3472 -0.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4355 -1.7832 -0.8292 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8827 -0.2141 -1.2328 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7589 0.4305 -2.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1164 0.6140 -3.3522 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4111 1.8042 -3.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1904 1.7791 -5.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5168 3.0237 -5.9982 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8306 2.2751 -3.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7724 1.4085 -4.2352 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0927 2.5585 -2.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9933 3.9102 -1.9681 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1166 1.7680 -1.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9827 2.4952 -1.1701 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3262 -2.6840 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9203 -2.3417 -0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5642 -2.0349 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9532 -3.2940 2.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4705 -0.8824 1.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9602 0.3128 1.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5232 0.6889 1.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 -0.4188 1.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4723 -0.0825 0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1361 0.3037 -0.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0948 1.2313 0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3775 1.4599 0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3668 0.5216 0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6004 0.7247 0.3545 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4738 1.4454 1.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8106 2.5826 0.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0158 2.1131 -0.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2810 3.2639 -1.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4968 3.0473 -3.0422 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3013 4.5742 -1.3796 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1193 1.0789 -1.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 1.5085 -2.0045 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3145 1.2966 -1.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9471 2.3351 -2.5969 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7915 0.0433 -2.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5915 0.0698 -3.4483 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3346 -1.1672 -2.0258 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8341 1.4155 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6326 2.5551 -0.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9440 2.2478 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7951 3.4596 0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0068 3.3087 0.3004 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2526 4.7149 -0.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8818 1.4615 0.5441 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7387 0.7127 0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7926 0.7784 1.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6247 -0.4718 2.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8687 -0.8717 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8718 -1.6844 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0384 -1.4291 2.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5245 -1.1062 0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1016 -2.4761 0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3495 -2.6464 0.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1341 -1.7947 1.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8151 -2.4292 2.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9664 -1.0761 1.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5228 -1.0814 2.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8655 -2.7187 4.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3039 -1.0326 4.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0823 -2.3840 4.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8760 -1.6710 1.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7072 -3.6919 2.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4651 -3.8528 2.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2849 -3.2488 0.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8440 -4.1933 0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7002 -0.1448 -2.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7382 2.5783 -3.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1786 1.4626 -5.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9018 1.0516 -5.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0059 3.7405 -5.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9343 3.2453 -4.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5098 1.2964 -3.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1511 2.2595 -2.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7032 4.2320 -1.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6203 1.4968 -0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1926 1.8801 -1.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4169 -3.8169 -0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4782 -2.4880 -1.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6334 -1.4471 -0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2909 -3.1813 -0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5859 -3.9944 1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4088 -3.1121 2.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0719 -3.9421 2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7359 1.0954 1.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4417 1.5477 1.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4051 1.1977 2.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1088 -0.3737 2.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0777 -0.3972 -1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2118 0.4772 -0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2753 1.2819 -1.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 2.0314 0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3203 1.1815 2.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3272 1.1096 -0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6801 2.5002 0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3941 0.9847 1.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 1.7829 2.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0617 1.6617 -1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4105 5.3705 -1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6655 0.1188 -1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6066 2.3148 -3.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0142 -1.9074 -2.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5143 0.5475 -0.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3537 1.5983 -0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9742 1.6882 0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6674 5.3598 -0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 -0.3635 0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2492 1.4113 2.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5217 -0.8954 2.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7759 -1.9195 0.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1614 -1.0126 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3791 -2.5501 -0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 -1.0804 3.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2329 -2.5243 2.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0235 -0.9970 2.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6695 -1.2975 -0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2439 -2.4094 1.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6721 -3.2873 0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4534 -2.3791 -0.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5804 -3.7218 0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -3.3851 2.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6678 -2.3852 3.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0421 -1.7762 3.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2979 -0.0555 0.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8367 -1.4024 3.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8267 -0.0389 3.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 2 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 8 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 2 0 28 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 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 39 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 2 0 47 49 1 0 45 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 50 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 35 60 1 0 60 61 1 0 60 62 1 0 60 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 27 68 1 0 68 69 1 0 69 2 1 0 68 8 1 0 21 12 1 0 66 25 1 0 66 30 1 0 63 31 1 0 58 37 1 0 57 43 1 0 1 70 1 0 1 71 1 0 1 72 1 0 5 73 1 0 6 74 1 0 6 75 1 0 7 76 1 0 7 77 1 0 12 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 21 87 1 0 22 88 1 0 23 89 1 0 23 90 1 0 24 91 1 0 24 92 1 0 26 93 1 0 26 94 1 0 26 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 32100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 37108 1 0 39109 1 0 42110 1 0 43111 1 0 46112 1 0 49113 1 0 50114 1 0 52115 1 0 52116 1 0 55117 1 0 57118 1 0 58119 1 0 59120 1 0 61121 1 0 61122 1 0 61123 1 0 62124 1 0 62125 1 0 62126 1 0 63127 1 0 64128 1 0 64129 1 0 65130 1 0 65131 1 0 67132 1 0 67133 1 0 67134 1 0 68135 1 0 69136 1 0 69137 1 0 M END