HMDB0031881 RDKit 3D Ampeloside Bf1 163171 0 0 0 0 0 0 0 0999 V2000 -11.6531 3.5519 1.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5782 2.0406 1.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1111 1.5805 0.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5122 2.1265 -0.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0817 1.8092 -0.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7681 2.4375 -1.6817 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8035 0.4650 -0.6755 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4875 0.2283 -0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5767 -0.0145 -1.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4021 0.9092 -1.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1077 0.2624 -1.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9687 -0.7154 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7376 -1.5277 -0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5572 -2.5883 0.5009 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5448 -0.6150 -0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6433 -1.4674 -0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7416 -0.7336 -1.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7504 -1.6008 -1.8025 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9514 -1.4423 -1.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8901 -0.8048 -1.9245 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0377 -0.4404 -1.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8092 0.8063 -0.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9752 1.2201 0.1733 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 -1.4804 -0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6007 -0.9113 0.4617 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8423 -1.3989 0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3926 -2.0519 1.2393 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4653 -2.8556 0.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3797 -3.0296 2.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6164 -3.6342 3.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1661 -2.4261 -0.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7733 -3.1801 -1.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1215 -0.9614 -0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2172 -0.2758 -0.0745 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9650 0.3681 -1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2600 -0.0659 -1.1725 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0976 0.2121 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0592 -0.8403 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9419 -0.4919 1.9671 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9768 1.5882 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4440 1.5787 1.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5884 2.1480 0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8066 1.6171 1.5061 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9125 1.8791 -0.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6233 2.4822 -1.8479 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8191 -0.2932 -0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9793 0.4728 0.9453 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6490 -2.2834 0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1024 -1.5504 1.4548 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4832 -2.6784 -0.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9624 -3.6079 -1.4042 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2476 -0.0032 -2.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 0.9915 -2.8777 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1418 0.5540 -2.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6241 0.6800 -0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3561 1.6494 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 1.2817 -1.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3134 2.2273 0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6827 2.2870 0.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8035 1.9930 -0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9769 3.2531 -1.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9361 1.4605 0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1643 2.1465 0.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2256 3.5500 1.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2475 1.5621 2.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2757 0.1993 2.4576 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9828 -0.4393 1.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1580 -1.3867 0.8418 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8520 -2.0903 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9383 -3.1621 -0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6119 -3.9027 -1.7001 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0864 -2.7755 0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7274 -3.9001 1.0643 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9881 -1.8934 1.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6421 -0.9751 0.3734 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1460 -1.1425 2.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6130 -1.9627 3.1664 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9183 3.9421 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7257 4.0343 1.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4668 3.9170 1.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0407 1.6810 0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6007 1.8463 1.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1527 0.4744 0.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0850 1.7765 -1.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6107 3.2446 -0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0383 1.9556 -2.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4683 -0.6868 0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1883 0.1694 -2.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2664 -1.0907 -1.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 1.3682 -2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8624 -0.3112 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7699 -0.2932 0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -1.4299 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8438 -1.9169 -1.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -2.9433 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4588 -0.3546 0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3634 -2.3454 -1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 -1.8992 0.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2424 -0.1201 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 -0.7004 -0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8416 -0.1452 -2.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9628 0.7225 0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5286 1.6712 -1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5129 1.7288 -0.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1891 -2.1766 -1.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8228 -2.1080 -0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0417 -3.8814 0.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7326 -2.0651 2.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1982 -3.7390 1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2479 -2.9163 3.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2599 -2.6913 -0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8217 -4.1405 -1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1842 -0.8076 -1.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4749 0.1763 -2.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1460 0.1525 -0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3860 -1.8237 0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0545 -0.9780 1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8452 -0.2902 1.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5989 2.3299 -0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9942 2.3628 1.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6723 3.2413 0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3741 1.5002 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8375 2.1657 -0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8217 3.4341 -1.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4278 0.3908 -0.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9950 -0.1050 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0737 -3.2181 0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1517 -2.0760 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6741 -3.1726 0.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5595 -3.1850 -2.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2802 -0.7262 -3.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6269 0.8373 -3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1292 1.5822 -2.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8165 -0.0419 -3.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1002 2.6293 -0.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7438 1.2669 0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2039 1.9250 -1.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 1.8932 -1.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9727 3.2589 -0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6524 1.9281 0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8865 3.3497 0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8595 1.7306 1.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6398 4.0081 -0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1593 3.0187 -2.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9638 3.7690 -1.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5232 1.0128 1.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6589 1.5556 1.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9406 3.7197 1.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2888 3.9894 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7271 4.1919 0.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7960 2.0895 3.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3091 1.9142 2.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3710 0.2809 0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0832 -1.4137 -0.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9998 -2.7775 -1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6477 -3.9079 0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3392 -3.3835 -2.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6829 -3.0700 -0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9604 -3.7629 1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6625 -2.5436 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4974 -0.7345 0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7096 -0.3303 2.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6212 -1.9509 3.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 28 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 37 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 33 46 1 0 46 47 1 0 24 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 17 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 60 62 1 0 62 63 1 0 63 64 1 0 2 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 69 72 1 0 72 73 1 0 72 74 1 0 74 75 1 0 74 76 1 0 76 77 1 0 63 5 1 0 76 67 1 0 62 8 1 0 60 10 1 0 57 11 1 0 55 15 1 0 50 19 1 0 46 26 1 0 44 35 1 0 1 78 1 0 1 79 1 0 1 80 1 0 2 81 1 0 3 82 1 0 3 83 1 0 4 84 1 0 4 85 1 0 6 86 1 0 8 87 1 0 9 88 1 0 9 89 1 0 10 90 1 0 11 91 1 0 12 92 1 0 12 93 1 0 13 94 1 0 14 95 1 0 15 96 1 0 16 97 1 0 16 98 1 0 17 99 1 0 19100 1 0 21101 1 0 22102 1 0 22103 1 0 23104 1 0 24105 1 0 26106 1 0 28107 1 0 29108 1 0 29109 1 0 30110 1 0 31111 1 0 32112 1 0 33113 1 0 35114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 40119 1 0 41120 1 0 42121 1 0 43122 1 0 44123 1 0 45124 1 0 46125 1 0 47126 1 0 48127 1 0 49128 1 0 50129 1 0 51130 1 0 52131 1 0 53132 1 0 54133 1 0 54134 1 0 56135 1 0 56136 1 0 56137 1 0 57138 1 0 58139 1 0 58140 1 0 59141 1 0 59142 1 0 61143 1 0 61144 1 0 61145 1 0 62146 1 0 63147 1 0 64148 1 0 64149 1 0 64150 1 0 65151 1 0 65152 1 0 67153 1 0 69154 1 0 70155 1 0 70156 1 0 71157 1 0 72158 1 0 73159 1 0 74160 1 0 75161 1 0 76162 1 0 77163 1 0 M END