HMDB0049595 RDKit 3D TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 163162 0 0 0 0 0 0 0 0999 V2000 9.2924 -2.9655 -2.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7698 -1.7761 -3.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7781 -1.4625 -4.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1272 -0.3099 -4.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2913 0.8202 -4.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2733 1.3914 -3.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0850 0.9874 -2.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4486 -0.2146 -3.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2836 0.3289 -4.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0862 -0.0082 -4.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7684 -0.9679 -2.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9603 -2.0380 -3.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7378 -2.3717 -3.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -1.7114 -2.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4649 -2.7694 -1.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7403 -2.8742 -0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7336 -1.9285 -1.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8855 -2.5015 -2.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1028 -2.3004 -1.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4776 -1.5235 -0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3048 -0.2767 -0.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7292 0.4175 0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9273 0.2159 0.6765 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9906 1.3164 1.0775 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6398 1.8762 2.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9935 2.7662 3.0988 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7510 4.2130 2.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4329 4.3122 2.0626 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9980 5.5556 1.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 6.4957 1.8089 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7197 5.9289 1.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5081 5.1870 1.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 5.7240 1.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 5.0791 1.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1008 3.6183 1.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 3.0664 1.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5496 1.6306 1.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8562 0.9853 1.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8058 -0.4470 1.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0138 -1.2190 1.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1079 -2.3581 1.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 -3.1040 2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0928 -3.2959 3.9718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9576 -4.0846 4.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6517 -3.3970 4.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5509 -4.2723 4.9787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6232 -5.6008 4.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9174 2.4084 3.9082 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9116 2.4029 5.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0097 2.7324 5.8741 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7354 2.0527 6.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7506 0.6451 6.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7828 -0.3750 5.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5039 -0.1769 4.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5237 -1.1491 3.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5209 -0.8714 2.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4878 0.5702 1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3273 0.6417 0.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4397 1.0462 -0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7475 1.4716 -0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5461 2.8673 -1.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 3.1505 -2.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1928 2.1779 -3.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2367 2.0947 -4.8043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 2.3383 -6.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9815 2.7077 -6.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4741 1.6237 -7.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0408 -3.2709 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3358 -2.6869 -2.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0330 -3.8401 -3.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7049 -2.1333 -4.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0676 -0.9744 -3.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5790 -2.2837 -5.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4583 -0.2731 -5.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6613 1.7419 -4.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2839 0.7001 -3.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6077 2.3502 -2.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4731 1.6146 -2.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0741 -0.8148 -4.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1171 -0.7835 -2.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5699 1.0347 -5.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2267 0.3747 -4.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -0.3859 -2.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5836 -1.4871 -2.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4425 -2.5483 -4.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1845 -3.1492 -3.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6145 -0.9850 -2.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8666 -1.2181 -1.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -3.4702 -0.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0237 -3.6842 -0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0406 -1.3136 -0.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2536 -1.2544 -2.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7077 -3.1034 -3.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9411 -2.7559 -2.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7297 -1.1854 0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2243 -2.1832 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1700 -0.5756 -1.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6191 0.3190 -1.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6071 2.3868 1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1078 1.0032 2.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8330 2.9793 3.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7878 4.9243 3.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5403 4.4573 1.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6752 5.8261 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 7.0382 1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6887 4.1241 1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4552 5.4416 2.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2574 6.8335 1.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2812 5.6922 -0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8397 5.5916 0.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2313 5.2670 2.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2717 3.0100 1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0694 3.4840 0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2838 3.6217 1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5351 3.2008 2.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4927 1.5787 0.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7547 1.0435 1.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7045 1.4924 1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9658 0.9286 2.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9064 -0.9442 1.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6428 -0.3635 -0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9860 -0.7828 1.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0880 -2.8427 2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9716 -2.7361 2.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0254 -4.1566 2.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1710 -2.2847 4.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0301 -3.8482 4.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1201 -4.3396 5.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9119 -5.0780 4.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4249 -3.3150 3.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6596 -2.4392 4.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3893 -3.7452 4.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8169 -4.3805 6.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 -5.4665 3.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4105 -5.9807 4.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2853 -6.2780 4.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7776 2.3725 5.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8052 2.7199 7.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5725 0.5107 7.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7985 0.5133 7.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6814 -0.3494 4.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7171 -1.3702 6.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6933 -0.5427 5.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3966 0.8585 4.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5468 -2.2183 3.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 -1.7044 1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4587 0.8140 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2619 1.2158 2.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.3240 1.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5595 1.0832 -0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 1.6944 -0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1996 0.8301 -1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2171 3.5933 -0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5894 4.1809 -2.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2979 1.1740 -3.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2408 2.4406 -3.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2081 1.8238 -4.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8731 2.2656 -6.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9139 3.6745 -7.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7247 2.8147 -5.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6058 1.2011 -7.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1860 2.1643 -8.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9688 0.8454 -6.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 2 0 29 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 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 1 27102 1 0 27103 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 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 47136 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 56146 1 0 57147 1 0 57148 1 0 58149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 65158 1 0 66159 1 0 66160 1 0 67161 1 0 67162 1 0 67163 1 0 M END