HMDB0005446 RDKit 3D TG(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) 157156 0 0 0 0 0 0 0 0999 V2000 4.3391 -5.7032 -3.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9636 -5.4798 -4.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3585 -6.7902 -4.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0176 -6.5613 -5.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0297 -5.9169 -4.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2638 -5.7493 -5.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8316 -4.5833 -5.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3013 -3.2816 -4.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0845 -2.4236 -6.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0632 -1.9314 -6.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3122 -2.1846 -5.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9525 -0.8800 -5.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2183 -1.2810 -4.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0217 -0.1521 -3.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3641 0.7063 -2.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9632 -0.0671 -1.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3311 0.9628 -0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8976 0.3526 0.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7685 -0.1956 0.6299 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6774 0.3433 1.7135 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -0.2607 2.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 -0.2086 4.0423 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6346 -1.1075 5.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2551 -2.3235 4.5803 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6927 -3.4081 5.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4949 -3.3534 6.4411 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3339 -4.6333 4.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0388 -4.3005 3.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6053 -5.3192 2.9181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9851 -4.9134 2.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9266 -3.5650 1.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2943 -3.1994 1.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2945 -1.8326 0.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3727 -1.6620 -0.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7837 -1.3393 -1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1489 -1.0994 -2.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3101 0.3146 -2.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3858 0.5561 -3.9379 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5697 1.9526 -4.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2629 3.0009 -3.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8269 2.8771 -2.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 1.0571 4.4714 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7799 1.6377 4.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7739 1.0033 4.0799 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9140 3.0241 4.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7013 4.0283 3.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8029 5.4275 4.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6067 6.5165 3.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3762 6.7224 2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0819 6.9569 3.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4513 5.8128 4.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0485 4.7207 3.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 4.3114 3.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3364 4.8316 3.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3349 5.3077 2.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5424 4.8076 2.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0385 3.7477 3.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4396 2.5032 2.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5269 2.7842 1.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8283 1.4735 1.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9243 1.6228 0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0652 -5.7125 -4.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5996 -4.8435 -3.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3637 -6.6383 -3.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0517 -4.8019 -5.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3676 -4.9807 -3.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2905 -7.4953 -3.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0315 -7.2348 -5.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 -5.8972 -6.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6114 -7.5431 -5.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1491 -6.6199 -3.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4872 -4.9789 -4.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7341 -6.6824 -5.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7789 -4.5867 -5.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1888 -2.8111 -4.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 -3.3325 -4.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9872 -2.1963 -6.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1254 -1.2863 -7.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2296 -2.8190 -4.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 -2.6627 -6.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1522 -0.1994 -6.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2096 -0.4022 -4.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -1.9939 -3.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8510 -1.7948 -5.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2424 0.5254 -4.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0469 -0.4810 -3.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4718 1.1762 -3.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0388 1.5283 -2.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8233 -0.5578 -1.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2424 -0.8389 -1.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 1.4447 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1213 1.7477 -0.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2082 0.0970 3.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0682 -1.3519 2.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1486 -0.7040 3.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7393 -0.6540 5.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3919 -1.2169 5.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3771 -5.5472 4.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1055 -4.6794 3.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7193 -4.1209 4.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1362 -3.3518 3.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6922 -6.2867 3.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0159 -5.4874 2.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6352 -4.8308 3.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3209 -5.6925 1.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6232 -2.8208 2.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1829 -3.6147 0.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6399 -3.9817 0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0101 -3.1698 2.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3302 -1.6410 0.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0303 -1.0684 1.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -1.7947 -0.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0102 -1.2193 -2.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2876 -1.7551 -3.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -1.3258 -1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 1.0709 -1.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3443 0.4762 -3.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3154 0.4541 -3.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 -0.1338 -4.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5872 2.1375 -4.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8702 2.1153 -5.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3410 4.0019 -3.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9434 3.0105 -2.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1554 2.8744 -3.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5836 3.7498 -2.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6352 1.9201 -2.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9377 3.1316 5.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2089 3.2475 5.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5379 3.7668 3.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7851 3.7560 3.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9349 5.5231 4.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3315 5.5576 5.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7953 7.4874 3.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5054 6.5407 2.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2083 5.8606 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5483 7.5982 1.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 7.8152 4.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3116 7.3381 2.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6309 6.1401 4.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 5.3555 4.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7997 4.2399 2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3748 3.4785 2.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0794 5.7196 4.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7165 4.0445 4.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0357 6.1073 2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2291 5.2169 1.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4287 3.4245 4.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0328 4.0915 4.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8853 1.8072 3.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5888 2.0104 2.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4286 3.1242 2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2394 3.5302 1.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1729 0.7082 1.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9423 1.0553 0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8753 2.6355 -0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8811 0.8300 -0.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9101 1.5444 0.5808 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 1 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 2 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 22 42 1 0 42 43 1 0 43 44 2 0 43 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 2 0 53 54 1 0 54 55 1 0 55 56 2 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 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 0 21 94 1 0 22 95 1 6 23 96 1 0 23 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 41126 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 54143 1 0 54144 1 0 55145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 61157 1 0 M END