HMDB0010526 RDKit 3D TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -11.1710 -0.7883 -4.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4332 -1.9828 -4.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0016 -1.6329 -4.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1242 -2.3674 -4.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4236 -3.6118 -3.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6049 -4.6978 -4.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6938 -5.3701 -3.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4023 -5.1153 -2.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6283 -6.3695 -1.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6748 -6.9288 -0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3212 -6.3563 -0.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0711 -5.9968 0.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1046 -6.5186 1.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1217 -7.5122 1.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7315 -6.9920 1.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -6.9197 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 -7.2877 -1.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3495 -6.2816 -2.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1454 -5.0062 -2.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1712 -4.1379 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9299 -3.0643 -1.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8056 -2.0552 -0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0163 -1.0773 -0.3397 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5277 -2.0256 0.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4196 -1.0418 1.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0896 -0.8718 2.5925 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4564 -2.1702 3.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7628 -1.8296 3.6001 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6615 -2.6543 4.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -3.8502 4.3863 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9684 -2.1119 4.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4184 -0.8770 3.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5809 -1.0706 2.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1015 0.1442 1.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4889 0.7654 0.7959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2104 0.4229 0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3895 0.1213 -1.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8497 0.8384 -2.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9874 2.0435 -2.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7068 1.8071 -2.7206 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4807 1.8756 -2.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7336 2.2346 -0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 3.5068 -0.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7119 3.6071 -0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5499 2.5636 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8933 3.0607 1.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8130 2.1936 2.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2772 0.8060 2.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2601 -0.0455 3.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1765 0.1423 3.5642 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6302 1.2645 3.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 1.3179 2.6648 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5004 2.3144 4.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5037 3.4125 4.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3094 4.0999 3.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3647 5.1821 2.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2104 5.8999 1.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 6.9289 1.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2728 7.7660 0.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 7.0519 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 7.2304 -1.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3564 8.2181 -1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7517 7.7092 -1.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1704 6.6537 -0.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6229 6.3052 -1.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1193 5.2327 -0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4021 3.9300 -0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9593 2.8562 0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2473 1.5461 0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1395 -0.6054 -4.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3316 -0.9730 -3.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5319 0.1276 -4.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8243 -2.0095 -6.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7687 -2.8552 -4.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6319 -0.7266 -5.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0706 -2.0610 -4.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2810 -3.4613 -2.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4819 -3.9349 -3.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8172 -4.8973 -5.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1402 -6.1373 -4.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0817 -4.3537 -1.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3663 -4.7457 -2.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6284 -6.8064 -1.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8809 -7.8423 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0762 -5.5246 -1.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5638 -7.1699 -0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7375 -5.2633 1.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9963 -6.1895 2.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3788 -8.1245 0.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 -8.2950 1.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 -6.6847 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0418 -6.5517 0.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -7.8101 -1.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4279 -8.0756 -1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5904 -6.6858 -3.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2217 -4.4965 -3.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0453 -4.6402 -0.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1342 -3.5984 -1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8856 -2.5754 -2.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 -3.6276 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8041 -0.0516 1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1477 -1.3344 2.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6661 -0.4772 1.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1815 -2.6058 3.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5739 -2.9014 2.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9788 -1.9237 5.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.9047 4.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8470 0.0311 4.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4700 -0.6793 4.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7049 -1.4616 1.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4380 -1.8247 2.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0912 0.5652 2.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9819 1.6903 0.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7264 -0.4334 0.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4704 1.2504 0.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0015 -0.7487 -1.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0691 0.4943 -3.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5259 2.8263 -2.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 2.4443 -1.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7517 1.5323 -3.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3728 1.6604 -2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 2.3920 -0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2481 1.3818 -0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9658 4.3563 -1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1802 4.6106 -0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4963 2.4988 -0.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0605 1.5886 0.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3729 4.0764 1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9519 3.1890 2.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8191 2.1039 1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8952 2.6482 3.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1718 0.3310 1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 0.8381 3.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2234 0.1999 4.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3031 0.1129 3.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0563 -1.1293 3.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5502 1.8878 5.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5274 2.7449 4.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 3.0149 4.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 4.1214 5.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2594 3.4501 2.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3158 4.6493 3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2769 5.9278 3.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3469 4.6558 2.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2766 5.1783 0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2403 6.4272 1.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1979 7.6157 2.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3014 6.4237 1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2386 8.2493 0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0014 8.5681 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6159 6.2671 -1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2018 6.5851 -2.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2636 8.8782 -0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2390 8.9336 -2.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9620 7.3769 -3.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4272 8.5961 -1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0450 7.0229 0.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5735 5.7140 -1.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7826 6.0798 -2.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2272 7.2361 -1.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2084 5.0279 -0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0693 5.5036 0.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3188 3.9947 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5477 3.5584 -1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8432 3.1288 1.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0469 2.6990 0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2334 0.9680 1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8756 0.9310 -0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2588 1.6733 -0.2837 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 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 50 1 0 50 51 1 0 51 52 2 0 51 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 2 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 6 27104 1 0 27105 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 38117 1 0 39118 1 0 39119 1 0 40120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 49136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 61152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 68165 1 0 68166 1 0 69167 1 0 69168 1 0 69169 1 0 M END