HMDB0039400 RDKit 3D Basellasaponin B 136143 0 0 0 0 0 0 0 0999 V2000 6.0015 -2.2321 4.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0345 -0.8960 3.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5646 0.1144 4.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0363 -1.0402 2.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8045 0.0582 1.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4780 -0.2294 0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7848 -1.4079 -0.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1869 -2.4987 -0.2423 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7815 -1.2796 -1.2844 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1696 -2.3217 -2.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4541 -2.7553 -1.9409 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4508 -1.9425 -2.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2928 -1.2939 -1.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2494 -0.5072 -2.0236 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9994 -0.8663 -3.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 0.2070 -2.7377 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0453 -1.4862 -4.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6528 -0.5002 -5.2806 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 -2.0100 -3.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8514 -1.0286 -3.6726 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3186 0.9481 -0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9643 1.0695 -1.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9598 1.2530 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1282 2.6667 0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1327 0.3363 1.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1137 0.2348 2.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 0.9793 1.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6481 1.7076 0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 1.7072 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0448 2.9184 -0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5922 2.0643 1.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 2.0300 1.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 1.0150 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7483 0.4789 0.9458 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9020 0.6812 0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7526 1.5955 0.8994 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7237 2.0732 0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2573 3.0710 -0.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0632 3.4860 -0.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1497 3.6449 -1.8228 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4702 0.9664 -0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8310 1.2182 -0.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5816 0.0988 -0.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1647 -0.3059 -2.2487 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0061 0.4442 -1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6096 0.8475 0.0149 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7220 0.3414 -2.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2602 -0.9815 0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1389 -2.0341 0.0411 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6399 -2.1959 1.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5924 -3.3111 1.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0889 -3.5178 2.5913 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9513 -4.1164 0.3963 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9342 -1.3838 -0.2752 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1446 -0.3060 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6662 -0.5804 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3638 -1.6046 0.8139 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6083 -0.0930 0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2145 -0.9267 -1.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4562 -0.9617 1.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4362 -2.1670 1.2062 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 0.4595 -0.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3111 -0.6265 -0.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1307 -0.2822 -0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5294 1.1239 -0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 1.8425 -1.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3687 -0.4917 1.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6755 -0.4356 2.8887 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6605 -3.0505 3.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3379 -2.0797 4.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0202 -2.4096 4.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2788 -0.2165 5.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6491 0.2050 4.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0566 1.0899 4.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0672 -2.0453 1.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0469 -0.8578 2.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6372 0.9943 1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6210 0.1272 0.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -3.1929 -1.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1543 -2.6063 -2.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7322 -0.6194 -0.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8930 -2.0309 -0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8304 -0.1191 -1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9221 -0.4869 -3.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0537 0.7551 -2.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5484 -2.2808 -4.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9600 0.3999 -4.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4479 -2.9196 -4.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6669 -0.7951 -4.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0228 0.7564 -1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7245 1.8788 0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7452 0.1452 -1.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9603 1.9831 -1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6775 3.4450 0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7117 2.6682 1.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1945 2.9400 0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1575 -0.4319 2.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0587 0.1750 2.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7993 1.7117 2.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9058 2.7765 0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7952 3.6383 -0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1429 3.5095 -0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5427 2.5677 -1.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3323 3.1607 1.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2779 1.5707 2.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4961 3.0116 1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5176 1.8422 2.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8932 1.4723 -0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6539 1.1976 -0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4859 2.5902 0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4575 3.1596 -2.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1385 0.8244 -1.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4369 -1.2502 -2.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6416 0.7178 -2.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1748 -0.5266 1.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7925 -2.3991 1.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1279 -1.2681 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4793 -4.9547 0.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2685 -0.0679 1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4133 -0.9119 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6534 -1.3106 1.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5562 -0.2736 -1.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0375 -1.5671 -0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 -1.6578 -1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3586 -0.5476 2.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5782 0.7512 -1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5541 -1.2280 -1.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4554 -1.3619 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.9481 -0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5308 -0.5417 -1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2393 1.2347 -2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 2.8481 -1.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5906 1.8116 -2.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0009 -1.5455 1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9647 -1.1139 3.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4370 0.5919 3.2774 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 2 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 62126 1 0 63127 1 0 63128 1 0 64129 1 0 64130 1 0 66131 1 0 66132 1 0 66133 1 0 67134 1 0 68135 1 0 68136 1 0 M END