HMDB0049121 RDKit 3D TG(18:1(11Z)/16:0/18:3(6Z,9Z,12Z)) 159158 0 0 0 0 0 0 0 0999 V2000 -5.4905 6.2259 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7766 4.9889 0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9525 5.1232 1.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2018 3.9075 2.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3377 4.0835 3.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5609 2.9333 4.5879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5959 2.1182 4.9259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2029 2.2648 4.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3528 2.4767 5.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3904 1.7077 6.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 0.4668 5.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1727 -0.6442 6.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8459 -1.3950 6.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1971 -1.2670 6.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 -2.4587 5.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3689 -3.2399 4.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1833 -4.0456 4.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1715 -3.5834 4.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8994 -3.3646 5.0911 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7519 -3.3568 2.8029 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0494 -2.9003 2.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7583 -2.8430 1.4686 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2480 -4.1781 1.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1996 -4.1254 0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2456 -3.8041 -1.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1841 -3.4776 -1.8174 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5224 -3.8451 -1.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5690 -4.3921 -3.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7675 -3.8177 -4.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9848 -2.3616 -4.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2805 -1.8416 -5.8804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8361 -2.0292 -5.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 -1.4407 -4.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -1.7412 -5.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4992 -1.2201 -4.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8801 -1.4379 -4.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7355 -2.1695 -4.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 -2.8553 -2.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2195 -2.4003 -1.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8342 -3.1359 -0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0298 -4.6314 -0.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6406 -5.3345 0.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8346 -6.8282 0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1669 -2.1025 0.4651 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6631 -0.8809 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7259 -0.4969 0.6136 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1271 -0.0245 -1.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0815 0.9702 -0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5523 1.8803 0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5037 2.8947 0.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7871 2.2235 1.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7923 3.3155 1.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1395 2.7889 1.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7924 2.0406 0.7928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9617 2.9549 -0.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6123 2.1691 -1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7909 3.0300 -2.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4299 2.2843 -3.8832 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8162 1.7729 -3.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7782 2.8995 -3.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8849 3.8772 -4.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7153 5.9617 -1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1074 7.0543 0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4090 6.5391 -1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8362 4.9074 0.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4531 4.0662 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2638 6.0090 2.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8576 5.1372 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2475 3.9446 2.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9951 2.9657 1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3415 4.3351 3.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7642 5.0225 4.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5981 2.7681 4.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8196 1.2706 5.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0536 3.1283 3.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9326 1.3833 3.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5648 3.3706 6.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2061 1.9554 6.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7396 0.2137 4.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9471 0.5335 4.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -0.8137 6.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -2.1732 7.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3786 -0.3341 5.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8307 -0.9968 7.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9011 -2.1378 5.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0761 -3.2084 6.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -2.5253 3.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2633 -3.9540 4.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2487 -4.8818 4.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3517 -4.7152 3.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1033 -1.8740 3.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 -3.5719 3.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7491 -2.2888 1.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3913 -4.8790 0.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 -4.6898 1.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0059 -2.8248 -1.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2364 -4.4810 -1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6619 -4.3055 -3.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4615 -5.5268 -3.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6921 -4.0339 -4.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0119 -4.3969 -5.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5917 -1.7785 -3.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0732 -2.1121 -4.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6182 -0.7783 -6.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7406 -2.3888 -6.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6448 -3.1562 -5.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3987 -1.7782 -6.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1539 -1.8296 -3.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0468 -0.3311 -4.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3012 -1.3052 -6.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -2.8491 -5.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3515 -0.0854 -4.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2599 -1.4500 -3.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2467 -0.9638 -5.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7722 -2.2761 -4.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3262 -2.9709 -2.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7336 -3.9306 -3.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0836 -1.3365 -1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3012 -2.5944 -1.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8083 -2.9648 -0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5118 -2.7709 0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0966 -4.8556 -0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3989 -5.0534 -1.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -5.1634 0.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2569 -4.9094 1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7406 -7.0724 1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9718 -7.3665 1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0034 -7.0670 -0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9759 0.6120 -1.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.5782 -1.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1567 0.4289 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8326 1.5838 -1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 1.3342 1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4522 2.4540 0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8256 3.6010 1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 3.4852 -0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2521 1.6905 0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6236 1.5614 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8028 4.0608 0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3785 3.8345 2.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7818 3.6253 2.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0076 2.0568 2.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8044 1.7528 1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2568 1.1122 0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0169 3.4087 -0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6458 3.8048 -0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9383 1.3313 -1.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.8077 -1.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4073 3.9016 -2.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8017 3.3838 -3.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3647 2.8187 -4.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8028 1.3553 -4.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7697 1.1226 -2.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1589 1.2422 -4.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5203 3.3864 -2.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7846 2.4472 -3.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4222 4.7814 -4.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4920 3.4536 -5.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9223 4.1748 -4.8491 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 22 44 1 0 44 45 1 0 45 46 2 0 45 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 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 0 21 92 1 0 22 93 1 1 23 94 1 0 23 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 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 43128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 61159 1 0 M END