HMDB0039401 RDKit 3D Basellasaponin C 137144 0 0 0 0 0 0 0 0999 V2000 -6.4897 0.7968 -3.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9565 1.4768 -2.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7801 2.9530 -2.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0677 1.3471 -1.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5079 1.9329 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3922 1.0921 0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0774 -0.0338 0.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9242 -0.1418 2.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8622 -0.9623 0.3396 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4657 -1.9830 1.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8747 -1.9001 1.0298 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3322 -2.9576 1.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7160 -2.6771 2.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5923 -2.4940 1.2991 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3508 -4.2488 1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0928 -5.3547 1.8167 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2842 -4.0925 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8663 -3.3667 -1.0789 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1127 -3.3711 0.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7573 -4.1300 1.6976 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7597 1.9461 1.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6376 2.7751 0.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4787 1.7966 0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2258 1.2031 1.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9937 0.8138 -0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 0.0584 -1.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6804 0.2707 -0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4075 1.7558 -0.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1008 2.0443 -0.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3495 3.3707 -1.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8796 1.0347 -1.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5178 -0.0271 -0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5839 0.7403 0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4203 -0.1262 0.7329 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7339 -0.0986 0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5241 0.2380 1.4285 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7221 0.7350 0.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 0.7800 2.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8471 1.1993 1.8623 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3256 0.3647 3.3238 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2943 -0.0188 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6587 -0.1894 0.0165 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2329 -1.1715 -0.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2515 -0.7780 -2.0937 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6428 -1.3263 -0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9421 -1.6746 0.8673 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7121 -1.0882 -1.1727 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5781 -2.5222 -0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4033 -3.4581 0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 -4.5311 -0.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5204 -5.5303 -0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8601 -6.5833 -0.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9856 -5.3007 1.0878 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4503 -2.3212 0.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6798 -1.3516 -0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2260 -1.4601 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1170 -2.3738 0.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8639 1.7147 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8311 0.9310 2.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6403 2.9204 1.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9473 3.2828 2.4647 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0778 3.7295 0.2701 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4429 1.9046 0.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8334 3.0497 1.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6037 3.2881 1.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2527 2.5685 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8908 3.6784 -0.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4361 0.5720 -0.7668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6675 0.9017 -2.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8850 1.1898 -4.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5749 0.9598 -3.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2289 -0.2782 -3.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7328 3.5251 -2.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5560 3.0042 -4.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9135 3.4122 -2.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8893 2.0389 -1.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3941 0.3101 -1.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2632 2.0916 0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0961 2.9340 -0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1945 -1.8615 2.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6312 -3.0932 2.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6989 -1.8478 3.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0380 -3.5965 2.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0353 -3.3463 1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3287 -4.3160 0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1708 -6.1488 1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9308 -5.0492 -0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8032 -3.5851 -1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2187 -3.3778 -0.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2807 -3.5817 2.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4916 2.6746 1.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4371 1.2555 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0113 3.1065 -0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3447 3.6025 1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7008 0.2045 2.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1709 1.0657 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 1.8520 2.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4602 -0.6792 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5264 -0.1571 0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1203 -0.3256 -1.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6134 1.9858 -1.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 3.3712 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7515 3.3897 -2.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2611 4.2481 -0.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7832 1.5577 -2.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3531 0.6417 -2.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8276 -0.5186 -0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -0.7513 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0956 1.3612 -0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9342 0.6235 -0.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5029 1.7861 0.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8076 -0.4925 3.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1987 0.5920 -1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2890 0.1839 -2.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0522 -1.8538 -1.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3133 -2.8889 -1.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0457 -4.1636 -1.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6365 -4.9633 -1.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2607 -4.3932 1.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8079 -1.5844 -1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6272 -1.8215 -0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 -1.9177 1.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6525 1.6581 3.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0262 0.1896 2.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7955 0.4571 2.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5044 3.3581 -0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 0.9871 1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 3.9346 1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0335 2.8201 2.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7094 4.4209 1.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1618 3.0897 2.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4267 3.2993 -1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4711 4.3963 -0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0782 4.3489 -1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5117 -0.5649 -0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8583 1.6051 -2.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4762 0.0032 -2.8644 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 60 62 1 0 58 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 25 68 1 0 68 69 1 0 69 2 1 0 68 6 1 0 19 10 1 0 66 23 1 0 66 28 1 0 63 29 1 0 56 35 1 0 55 41 1 0 1 70 1 0 1 71 1 0 1 72 1 0 3 73 1 0 3 74 1 0 3 75 1 0 4 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 10 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 18 88 1 0 19 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 22 93 1 0 22 94 1 0 24 95 1 0 24 96 1 0 24 97 1 0 26 98 1 0 27 99 1 0 27100 1 0 28101 1 0 30102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 35110 1 0 37111 1 0 40112 1 0 41113 1 0 44114 1 0 47115 1 0 48116 1 0 50117 1 0 50118 1 0 53119 1 0 55120 1 0 56121 1 0 57122 1 0 59123 1 0 59124 1 0 59125 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