HMDB0039399 RDKit 3D Basellasaponin A 138145 0 0 0 0 0 0 0 0999 V2000 -6.8011 -3.1322 -3.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3690 -2.5487 -2.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0762 -3.3630 -1.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7508 -1.0876 -2.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5274 -0.1953 -2.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9232 -0.5024 -0.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9715 -0.2003 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4219 -1.0228 0.8425 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4818 1.0873 0.0369 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4885 1.5147 0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9923 2.6052 1.5997 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8265 3.6440 1.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6499 3.4273 3.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7566 3.2798 4.2347 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6455 4.1664 0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8700 4.6594 1.2209 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8876 3.1611 -0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0564 3.3605 -1.4471 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7261 1.7451 0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8968 1.3083 0.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7353 0.3578 -0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0912 -0.0396 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6354 -1.4639 0.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3725 -2.2181 1.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0725 -2.0206 -0.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2455 -2.4786 -1.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 -2.5013 -1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3882 -1.4156 -0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0684 -1.1413 -0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9194 -2.1874 -0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4059 0.1512 -1.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4804 0.9746 -0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4289 0.1405 0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3203 -0.6209 -0.3667 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6378 -0.4600 -0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3583 -1.6270 0.0499 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6755 -1.3041 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4123 -2.4994 0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8897 -3.6586 0.8228 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7537 -2.4269 1.1664 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3911 -0.6494 -0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6650 -0.3668 -0.4848 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1197 0.9311 -0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4618 0.7738 -1.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3172 1.5148 0.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3536 1.8280 1.5356 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5778 1.7409 1.3214 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4687 1.8495 -1.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1876 2.1491 -2.6622 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2203 3.5009 -2.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8706 4.3455 -1.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4491 3.8963 -0.8914 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8559 5.7224 -2.0538 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2211 1.3989 -2.0136 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6072 0.5976 -1.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2217 0.0905 -1.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4404 1.1257 -1.9565 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7556 -0.5036 1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5746 -1.6138 2.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6828 0.5557 2.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0202 0.9494 2.9399 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4085 -0.9620 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3578 -0.0070 1.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8317 -0.8883 2.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1644 -1.7019 0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0581 -3.1555 1.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5439 -1.9693 -1.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8911 -2.6444 -2.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5094 -2.5358 -4.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4662 -4.2014 -3.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9127 -3.1652 -3.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7549 -4.1458 -1.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4077 -3.9141 -0.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7584 -2.7199 -0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3616 -0.7997 -3.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3591 -0.9234 -1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9433 0.8500 -2.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8337 -0.2182 -3.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6824 0.6162 1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1353 4.5137 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3358 4.2733 3.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2335 2.4905 3.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0319 3.9500 4.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1687 5.0621 0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6279 4.1964 0.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9331 3.2362 -0.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0524 2.5963 -2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6814 1.1208 -0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7270 0.4540 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0098 0.3962 -1.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1199 1.4091 -0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 0.7127 0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9387 0.0836 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1267 -1.5339 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7131 -2.5176 2.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9016 -3.1026 1.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6016 -2.8879 -2.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3355 -2.2586 -2.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5569 -3.5262 -1.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -0.4893 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2689 -2.9764 -1.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6111 -2.7240 -0.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4497 -1.8037 -1.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 0.7742 -1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7408 -0.0885 -2.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9745 1.6703 0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9475 1.6836 -1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 0.8780 0.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9456 0.2990 0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6358 -0.5707 1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4786 -2.4260 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3233 -1.3572 -1.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8627 -0.0200 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8682 1.5061 2.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2043 2.8047 -1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1637 3.9207 -2.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6437 3.6624 -3.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7273 6.2536 -2.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4091 1.1305 -0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2814 -0.7616 -2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9496 1.6252 -2.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 -2.2209 2.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -1.2096 2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1035 -2.2609 1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2441 1.5105 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2932 0.1636 3.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1267 1.1282 3.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 -1.9845 1.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 0.5478 2.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0317 0.6566 0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6124 -0.2527 2.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4535 -1.5120 2.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9652 -3.7506 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2074 -3.6983 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8873 -3.2431 2.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 -2.4623 -0.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3538 -2.1914 -3.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5316 -3.6982 -2.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 6 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 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 38 39 2 0 38 40 1 0 37 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 2 0 45 47 1 0 43 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 48 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 33 58 1 0 58 59 1 0 58 60 1 0 60 61 1 0 58 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 25 67 1 0 67 68 1 0 68 2 1 0 67 6 1 0 19 10 1 0 65 23 1 0 65 28 1 0 62 29 1 0 56 35 1 0 55 41 1 0 1 69 1 0 1 70 1 0 1 71 1 0 3 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 10 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 18 87 1 0 19 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 22 92 1 0 22 93 1 0 24 94 1 0 24 95 1 0 24 96 1 0 26 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 30101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 35109 1 0 37110 1 0 40111 1 0 41112 1 0 44113 1 0 47114 1 0 48115 1 0 50116 1 0 50117 1 0 53118 1 0 55119 1 0 56120 1 0 57121 1 0 59122 1 0 59123 1 0 59124 1 0 60125 1 0 60126 1 0 61127 1 0 62128 1 0 63129 1 0 63130 1 0 64131 1 0 64132 1 0 66133 1 0 66134 1 0 66135 1 0 67136 1 0 68137 1 0 68138 1 0 M END