HMDB0031448 RDKit 3D Glycosides 85 90 0 0 0 0 0 0 0 0999 V2000 4.8901 0.7348 2.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0396 -0.2388 2.0928 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5623 -1.3478 1.4111 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1121 -1.0524 0.1307 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8423 -0.5482 0.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8211 -1.3530 -0.2660 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9683 -1.8882 0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4954 -1.7896 0.6005 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1312 -2.7193 -0.3722 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0718 -0.4335 0.1112 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5076 0.5906 1.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 0.4192 2.3716 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3926 -0.3236 -0.1470 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2897 -0.8147 0.9102 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2205 -2.2362 0.8707 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7548 -0.4961 0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 0.8685 0.2147 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3723 1.8292 1.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3257 1.2994 -0.1436 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4642 0.4060 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2956 0.2011 -1.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3080 -0.7403 -0.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2755 -1.1905 -1.3937 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1033 -1.1138 0.6084 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9356 -0.4040 1.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2170 1.9784 -1.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7183 2.2471 -1.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1983 0.9509 -1.1021 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5073 -0.1000 -1.9188 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7454 1.0343 -0.7038 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9319 1.3620 -1.9311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5462 1.1883 -1.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7255 -0.2718 -1.2452 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0800 -0.9841 -2.1434 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0981 -0.7617 -1.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0431 -0.2386 -0.6930 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2742 -0.8604 -1.9095 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4034 -0.1779 0.0148 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9845 -1.4180 0.1308 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1427 0.4669 1.3577 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3230 0.3777 2.0861 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9384 0.2289 2.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7435 1.3190 1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0781 1.4548 3.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3786 -0.4774 3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0194 -2.0597 -0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3943 -2.2620 -0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2809 -1.3627 1.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1727 -2.9704 1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0074 -1.9879 1.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -3.6330 0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1783 1.6373 0.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6102 0.6979 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4928 -0.2054 2.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5818 -1.0220 -1.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9506 -0.5725 1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9656 -2.6416 1.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1679 -0.5044 1.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2371 -1.2926 0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5069 1.3945 1.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2113 2.8346 0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1695 1.9266 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5938 2.1864 0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2870 0.6179 -2.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2636 0.2059 1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2535 -1.2289 1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4171 1.2295 -2.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8302 2.8778 -1.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4145 3.1382 -1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 2.3462 -2.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4802 0.1941 -2.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6474 1.8704 -0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2356 0.7999 -2.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0924 2.4583 -2.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0704 1.2433 -2.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9995 1.9017 -1.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -0.8693 -3.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2075 -1.4668 -2.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7079 0.1245 -1.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7399 0.8217 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0180 -1.5126 -1.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0296 0.5281 -0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3269 -2.1425 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9210 1.5223 1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1031 0.1998 3.0355 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 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 1 11 12 1 0 10 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 1 17 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 19 26 1 0 26 27 1 0 27 28 1 0 28 29 1 6 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 6 33 35 1 0 4 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 40 2 1 0 35 6 1 0 33 10 1 0 30 13 1 0 28 17 1 0 25 20 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 1 4 46 1 6 6 47 1 6 7 48 1 0 7 49 1 0 8 50 1 1 9 51 1 0 11 52 1 0 11 53 1 0 12 54 1 0 13 55 1 6 14 56 1 1 15 57 1 0 16 58 1 0 16 59 1 0 18 60 1 0 18 61 1 0 18 62 1 0 19 63 1 1 21 64 1 0 25 65 1 0 25 66 1 0 26 67 1 0 26 68 1 0 27 69 1 0 27 70 1 0 29 71 1 0 30 72 1 1 31 73 1 0 31 74 1 0 32 75 1 0 32 76 1 0 34 77 1 0 35 78 1 0 35 79 1 0 36 80 1 6 37 81 1 0 38 82 1 6 39 83 1 0 40 84 1 6 41 85 1 0 M END