HMDB0095184 RDKit 3D TG(12:0/a-13:0/a-21:0)[rac] 149148 0 0 0 0 0 0 0 0999 V2000 -1.6420 3.8801 -9.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 3.6266 -8.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2076 2.4847 -7.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5518 2.6843 -6.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6771 3.8547 -5.9313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7417 3.7523 -4.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9976 2.5240 -3.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3561 2.4088 -3.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7264 3.5037 -2.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8217 3.5783 -1.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3068 4.7274 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4235 4.8242 0.9141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5232 5.8078 1.6789 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4953 3.8474 1.2135 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6822 3.9453 2.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3743 3.9889 3.6630 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2476 2.7530 3.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5126 1.5673 3.9099 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1169 0.3308 4.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3821 0.3611 4.1962 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3841 -0.9550 4.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0962 -0.7780 4.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8617 -2.0546 4.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4851 -3.0607 3.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3123 -4.2914 3.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1607 -5.3740 2.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1046 -6.0818 2.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3254 -5.3904 1.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1999 -4.6372 0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8103 -5.5474 -0.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -4.6288 -1.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3203 -5.3969 -3.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2281 -6.4188 -3.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5695 -6.1686 -4.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7582 -5.5018 -5.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5037 -4.1574 -5.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2625 -2.9952 -5.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7087 -1.7671 -6.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0296 -2.4824 -4.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6342 -1.9733 -3.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4337 4.1016 4.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4092 5.0296 5.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3179 5.8658 5.7713 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7515 4.9113 6.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6856 3.6520 7.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8267 3.4262 8.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1989 3.3767 7.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6456 2.3973 6.8593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0009 2.5181 5.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5016 1.4986 4.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9514 1.5875 4.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3813 2.9285 3.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6752 3.2747 2.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8597 2.7836 3.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7081 2.4220 4.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7192 2.9747 -10.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6494 4.1897 -9.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1985 4.6828 -10.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2652 3.3174 -8.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6093 4.5767 -7.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 2.1434 -6.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3054 1.6065 -8.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 1.7524 -6.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2639 2.9000 -7.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5546 4.8149 -6.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7101 3.8517 -5.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9084 4.6961 -4.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6734 3.7530 -5.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2043 2.3569 -3.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8771 1.6554 -4.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4330 1.4469 -2.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1101 2.4133 -4.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8505 4.4916 -2.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7404 3.2042 -1.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7569 3.7038 -1.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9563 2.6356 -0.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2053 5.6890 -0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3625 4.6085 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0463 4.7969 2.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 3.0404 2.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0963 4.8390 3.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9163 2.7074 2.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9274 2.8914 4.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7318 -1.6200 3.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6409 -1.5128 5.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3188 -0.2264 3.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4541 -0.1129 4.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7475 -2.5621 5.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9461 -1.8459 4.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -3.3006 3.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7256 -2.6174 2.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1974 -4.6561 4.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3912 -3.9333 3.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -6.1613 2.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5688 -4.9574 1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3819 -6.6194 3.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0401 -6.9675 1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8334 -4.8370 2.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0593 -6.2603 1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5597 -3.7397 0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2319 -4.2680 0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 -6.1202 -0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6415 -6.2747 -0.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0808 -3.8963 -1.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6654 -4.1203 -2.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 -4.7035 -3.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -5.9013 -2.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2978 -7.2245 -2.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -7.0297 -4.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2464 -5.7884 -3.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0233 -7.2212 -4.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3373 -6.2657 -6.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8995 -5.6880 -5.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7074 -4.1554 -7.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4045 -3.8705 -5.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3102 -3.0418 -5.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9536 -2.0048 -7.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -1.7128 -6.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2476 -0.9004 -5.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3224 -3.1352 -3.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7165 -1.5787 -3.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6032 -0.8958 -4.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3862 -1.9119 -2.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -2.5688 -4.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 5.0158 6.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6433 5.7932 7.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2966 2.8162 6.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2067 3.8385 8.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6597 2.4853 8.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8118 4.2273 9.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4510 4.4457 7.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8642 3.3275 8.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5859 1.3583 7.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 2.5573 6.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2433 3.5391 5.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9126 2.4393 5.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2506 0.4849 4.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9105 1.6902 3.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5606 1.3554 5.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1778 0.8306 3.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3280 3.7469 4.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0815 4.2792 2.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5889 3.4227 2.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8766 2.5044 1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1780 3.7581 2.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 2.0395 2.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7397 2.8235 4.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8347 1.3017 4.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3354 2.7868 5.4596 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 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 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 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 16 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 15 79 1 0 15 80 1 0 16 81 1 6 17 82 1 0 17 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 23 88 1 0 23 89 1 0 24 90 1 0 24 91 1 0 25 92 1 0 25 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 38117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 40124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 53142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 55149 1 0 M END