HMDB0041530 RDKit 3D Torvoside E 120126 0 0 0 0 0 0 0 0999 V2000 3.1583 -0.0847 -2.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4498 -0.8973 -1.9186 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5209 -1.4630 -1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2812 -2.2475 -0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1541 -1.3720 0.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2307 -0.6185 0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2347 -1.4836 -0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0663 0.1111 1.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0923 0.8318 0.5373 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 1.5027 1.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8217 2.8688 1.3389 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6425 3.4097 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1354 3.0968 -1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9789 3.6530 -1.9881 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0768 3.0442 0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6811 2.5675 -0.5952 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2668 2.0424 1.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5566 1.5173 1.6484 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2650 0.9250 1.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4480 -0.0028 2.4957 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7815 -0.4253 -0.5161 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5635 -0.3405 -1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 0.0534 -0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6252 -0.9027 -0.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9434 -0.9538 -0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3752 0.1896 0.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9106 0.2020 0.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4771 1.3567 1.1728 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1026 2.0570 0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4898 2.0924 0.3249 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0962 2.9611 -0.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5882 2.7724 -0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7615 4.4070 -0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5621 5.0719 -1.4595 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4595 4.4571 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7742 4.0452 1.8379 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5449 3.4259 -0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2536 3.5139 0.3762 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4095 -1.0657 1.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8790 -1.1187 1.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6182 -1.6555 0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7367 -1.1899 0.1707 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0629 -2.7093 -0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5703 -2.4369 -0.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9468 -2.2710 0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3088 -3.4856 1.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4132 -2.2256 0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7676 -3.4491 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7202 -3.2496 -1.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7556 -2.1852 -0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2049 -2.3794 0.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2335 -1.7674 -1.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5139 -2.3572 -1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7412 -3.8134 -1.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6277 0.8495 -2.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1553 0.2501 -3.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7192 -0.6486 -3.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6326 -2.9142 0.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0022 -2.8794 -0.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 -2.0385 1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5421 -0.5941 1.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9112 0.1816 -0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9037 -0.8126 -1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 -2.0035 0.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7857 -2.1929 -1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3985 0.7575 1.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5527 -0.6258 1.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4552 1.2708 2.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5357 4.5304 0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1402 3.5352 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0845 2.0128 -1.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4228 4.4420 -1.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6720 3.9464 0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6631 2.6892 -0.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0711 2.5022 2.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5498 0.5581 1.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5358 0.4129 0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6607 -0.8989 2.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4713 0.3877 -1.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3263 0.0105 0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9377 1.0927 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6806 -0.6645 -1.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6988 -0.8882 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0576 -0.0037 1.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9264 1.1236 0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0995 0.0974 -0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9550 1.4625 -0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8039 2.7441 -1.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1384 3.1711 -1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8691 1.6939 -0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0236 3.2959 0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5903 4.8550 0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1429 5.8775 -1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0065 5.4520 0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9247 3.9044 2.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5271 3.6087 -1.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6427 3.2554 -0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9211 -1.1557 2.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1151 -1.7998 2.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2432 -0.1386 1.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5423 -2.6206 -1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2320 -3.7283 -0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5414 -1.5955 -1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1821 -3.3592 -1.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3779 -3.5313 1.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9852 -4.4384 0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7735 -3.3270 2.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2354 -2.0674 1.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2474 -3.9781 0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4729 -4.2173 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2784 -4.2192 -1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2107 -2.8894 -1.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9029 -2.1690 1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -1.7343 1.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 -3.4766 0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 -1.5938 -2.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7668 -2.2049 -2.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6577 -4.2356 -0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1346 -4.3386 -2.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8074 -4.0122 -1.9772 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 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 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 27 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 53 3 1 0 19 10 1 0 52 22 1 0 50 24 1 0 47 25 1 0 37 29 1 0 45 39 1 0 1 55 1 0 1 56 1 0 1 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 10 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 19 77 1 0 20 78 1 0 22 79 1 0 23 80 1 0 23 81 1 0 24 82 1 0 25 83 1 0 26 84 1 0 26 85 1 0 27 86 1 0 29 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 34 93 1 0 35 94 1 0 36 95 1 0 37 96 1 0 38 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 43101 1 0 43102 1 0 44103 1 0 44104 1 0 46105 1 0 46106 1 0 46107 1 0 47108 1 0 48109 1 0 48110 1 0 49111 1 0 49112 1 0 51113 1 0 51114 1 0 51115 1 0 52116 1 0 53117 1 0 54118 1 0 54119 1 0 54120 1 0 M END