HMDB0041343 RDKit 3D Chinenoside III 132139 0 0 0 0 0 0 0 0999 V2000 -4.5373 -3.7670 0.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 -2.3609 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9716 -1.3220 0.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8586 -1.4458 1.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2758 -1.0730 1.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5215 0.3109 1.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0576 1.3870 2.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0425 0.4631 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4187 1.7058 0.4955 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8059 1.7796 0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1336 1.8773 -0.9445 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4935 1.6709 -1.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8410 0.1925 -1.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1965 -0.4408 -2.2461 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3283 2.2762 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5278 2.7071 -0.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6188 3.4762 0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4303 4.4786 -0.3326 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3009 2.9826 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3818 4.0278 0.9811 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6360 -0.1438 -0.0165 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9558 -0.3776 -1.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6094 0.3245 -1.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8057 -0.5620 -0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3917 -0.2493 -0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1899 0.8307 -1.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6609 0.8688 -0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2462 1.9222 -0.9585 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4408 -0.3909 -0.8653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9056 -0.2458 -0.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7190 -1.0468 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7838 -1.6602 -0.6502 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0314 -1.2791 -0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8047 -0.8712 -1.2342 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0296 -0.3041 -0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8567 1.0957 -0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9921 1.7431 0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9486 1.9478 -0.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9220 3.3769 -1.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7912 3.9693 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8684 3.6234 1.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9579 4.5075 0.9143 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3204 2.1998 1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6161 2.1476 1.5687 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3210 1.6899 -0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7779 0.4070 -0.4959 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7852 -1.2172 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9267 -0.6023 1.2799 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1431 -2.5880 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8328 -3.2870 1.1361 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6890 -2.5238 0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4961 -2.5055 1.8209 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0405 -2.1824 0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6265 -2.4342 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -1.1722 0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 -0.4176 1.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4193 -1.5233 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -2.5534 0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5862 -2.9122 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1203 -1.9320 -0.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6222 -2.1329 -2.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6192 -1.8713 -1.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3631 -3.8614 1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8486 -4.4554 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5631 -4.1648 0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8672 -2.4895 2.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4600 -0.8415 2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7919 -1.7762 0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8248 -1.1905 2.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0722 0.4477 0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0658 1.7841 1.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0281 1.0798 3.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7454 2.2747 1.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5333 0.2197 1.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4459 -0.2876 0.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2344 0.8187 0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7971 2.1561 -2.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6403 -0.3056 -0.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9638 0.1437 -1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0021 0.2479 -2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4840 1.5343 0.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0571 3.1228 0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2390 3.8320 1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7866 4.1569 -1.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3997 2.7279 2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7364 3.7773 0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5662 -0.1715 -2.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6802 1.3727 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2973 0.3178 -2.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3369 -0.5544 0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2311 0.1470 0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1763 0.8103 -2.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1886 1.8109 -0.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -0.9652 -1.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3112 -0.3707 -1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1227 0.8524 -0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2446 -0.3802 0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8903 -0.5506 0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6156 -0.2218 -1.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1335 1.0370 0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2907 1.6414 -1.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7421 1.5139 -1.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7954 5.0735 -0.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8141 3.7095 0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4560 3.8043 2.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1828 4.6479 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6569 1.5597 1.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2554 1.7900 0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0630 2.3270 -0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0304 -0.0072 0.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8320 -1.4333 -0.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1918 -0.7979 1.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3631 -3.1174 -0.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3181 -2.6778 1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2070 -3.4413 0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7399 -1.9309 2.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1098 -1.9818 1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5843 -3.1641 0.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2258 -3.1084 1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5629 -3.0397 -0.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7252 -0.5452 2.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6706 0.6860 1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9893 -0.7918 2.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6233 -1.8963 -1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3278 -3.5112 0.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4024 -2.1149 1.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 -3.9071 -0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2968 -2.9409 0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -1.3123 -2.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4694 -2.3063 -3.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -3.0963 -2.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 -2.3101 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 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 12 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 3 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 35 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 31 53 1 0 53 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 2 1 0 19 10 1 0 62 22 1 0 60 24 1 0 57 25 1 0 55 29 1 0 51 33 1 0 45 38 1 0 1 63 1 0 1 64 1 0 1 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 10 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 22 87 1 0 23 88 1 0 23 89 1 0 24 90 1 0 25 91 1 0 26 92 1 0 26 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 33 98 1 0 35 99 1 0 36100 1 0 36101 1 0 38102 1 0 40103 1 0 40104 1 0 41105 1 0 42106 1 0 43107 1 0 44108 1 0 45109 1 0 46110 1 0 47111 1 0 48112 1 0 49113 1 0 50114 1 0 51115 1 0 52116 1 0 53117 1 0 53118 1 0 54119 1 0 54120 1 0 56121 1 0 56122 1 0 56123 1 0 57124 1 0 58125 1 0 58126 1 0 59127 1 0 59128 1 0 61129 1 0 61130 1 0 61131 1 0 62132 1 0 M END