HMDB0048233 RDKit 3D TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)) 159158 0 0 0 0 0 0 0 0999 V2000 2.4079 0.0093 -5.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1956 -1.2547 -6.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5619 -1.8603 -4.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 -2.1891 -3.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4614 -3.1362 -4.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2718 -2.9531 -5.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5064 -1.7219 -4.9095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8267 -1.9404 -4.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7054 -2.6059 -2.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0671 -2.7810 -2.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1477 -3.4860 -0.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5862 -4.8679 -1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7207 -5.7024 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1692 -5.2935 1.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9112 -4.6561 2.2624 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 -5.5373 1.8858 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4584 -5.1520 3.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -5.4363 3.5390 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2848 -6.8169 2.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7215 -6.2199 1.5384 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1289 -6.6917 0.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1219 -7.9120 0.1557 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6211 -5.7657 -0.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6812 -4.3323 -0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3406 -3.7502 0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3613 -2.4494 0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0802 -1.9972 1.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1323 -0.8950 2.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5501 -0.4224 2.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5945 0.4947 3.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9745 1.7076 3.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4466 2.4723 2.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8834 2.9686 2.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2692 3.8418 1.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2795 3.2506 0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2910 2.1487 -0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6657 2.7761 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7914 1.8437 -0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6931 0.5868 0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0353 -4.6979 3.1886 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0655 -4.2167 3.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0118 -4.4044 5.1868 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2409 -3.5171 3.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9909 -2.6490 4.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1921 -1.4797 4.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5887 -0.2254 4.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8187 0.1706 3.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9505 0.8785 2.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0468 1.2391 1.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5803 1.0270 1.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9843 2.3652 2.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1368 2.7245 1.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7962 1.7963 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2006 2.2704 -1.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4162 2.3906 -2.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 2.1037 -2.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9824 3.0295 -2.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 4.2375 -3.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2786 5.0864 -3.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0679 6.4382 -2.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5012 6.3994 -1.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5301 5.8372 -0.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0177 5.9188 0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2824 0.3535 -4.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4172 -0.1215 -6.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8884 0.8489 -6.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6018 -2.0452 -6.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1081 -1.0594 -6.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2163 -2.7330 -4.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1189 -1.1215 -4.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8052 -1.2458 -3.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6211 -2.7428 -2.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9586 -4.0979 -4.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2132 -3.7530 -5.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0495 -0.9577 -4.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7127 -1.3183 -5.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -0.9272 -4.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 -2.5712 -4.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2379 -3.5973 -3.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0356 -1.9852 -2.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7027 -3.2626 -3.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4996 -1.7516 -2.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5707 -2.8555 -0.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2086 -3.5039 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -5.3846 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5425 -4.7737 -1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8147 -5.9111 0.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3302 -6.7644 -0.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6313 -4.0437 3.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1904 -5.6336 3.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9753 -5.7624 4.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0848 -7.2773 3.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3926 -7.4030 2.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0106 -5.8035 -1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 -6.0701 -0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -4.2923 0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1955 -3.7301 -0.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 -4.4835 0.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8239 -3.4717 -0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9185 -2.4389 1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8434 -1.7178 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4177 -1.5716 0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 -2.8064 1.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4574 -0.0335 1.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2807 -1.2521 3.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0222 0.0066 1.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 -1.3326 2.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2638 0.0806 4.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9564 2.2778 4.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3281 1.9895 1.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 3.4185 2.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5668 2.1075 2.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9007 3.5699 3.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2235 4.3871 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4841 4.6677 1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2447 2.8906 -0.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5021 4.0876 -0.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2859 1.8773 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0960 1.2879 0.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7504 3.7525 -0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6392 2.9449 1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8138 1.5904 -1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7418 2.4016 0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7026 0.0683 0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4077 0.7782 1.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9866 -0.1010 0.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9944 -4.2799 3.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0627 -2.8845 2.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9711 -2.4769 3.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0970 -3.2671 5.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2399 -1.6515 5.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9012 0.5616 4.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3881 0.8440 4.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5466 -0.7217 4.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0144 1.1517 2.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3539 1.7851 0.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3743 0.4358 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2102 0.4751 2.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2851 3.0079 2.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7036 3.7061 1.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 1.8890 -0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9098 0.7278 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2673 2.5563 -1.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 2.7244 -3.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3667 1.6503 -1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1084 1.1117 -3.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0678 2.6272 -2.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8541 4.7878 -3.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1507 4.7336 -2.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6568 5.2971 -4.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8916 6.8402 -3.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8067 7.1398 -2.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 5.8311 -1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7416 7.4373 -1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4391 6.4537 -0.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7186 4.7643 -0.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6898 6.7889 1.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5917 5.0249 1.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8502 5.9648 1.7117 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 2 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 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 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 2 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 18 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 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 17 89 1 0 17 90 1 0 18 91 1 1 19 92 1 0 19 93 1 0 23 94 1 0 23 95 1 0 24 96 1 0 24 97 1 0 25 98 1 0 25 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 39126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 46132 1 0 47133 1 0 47134 1 0 48135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 63159 1 0 M END