HMDB0055512 RDKit 3D TG(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/O-18:0) 164163 0 0 0 0 0 0 0 0999 V2000 5.1805 2.0987 6.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5545 0.8600 6.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9933 -0.3475 6.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6537 -1.3133 6.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0706 -1.3652 4.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5501 -1.4529 4.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3049 -0.6087 4.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8165 0.6043 3.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1752 0.5167 1.9216 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3272 0.5678 0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8588 0.7278 1.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4074 1.9601 0.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8386 2.9624 1.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5595 3.0069 2.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0691 3.2942 2.8088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7578 4.6567 2.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4506 5.1826 2.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1822 4.5129 2.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9048 5.4362 2.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2805 5.2070 2.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1157 5.1844 3.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8224 5.0227 1.0562 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 4.8909 0.8514 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7591 3.7771 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5436 2.5451 0.7279 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2537 1.5604 0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1505 0.2426 0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9793 -0.8232 0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5239 -1.0818 -1.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3749 -2.0485 -2.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6036 -3.3813 -1.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3973 -4.2916 -1.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7449 -4.5318 -2.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6259 -5.4591 -2.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3299 -5.3148 -2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3038 -5.2810 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8254 -5.2263 -0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7184 -5.1904 1.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3227 -6.2642 2.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8913 -7.6670 1.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0934 -8.3786 0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6181 -9.8449 0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8405 -9.8956 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6074 6.2494 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8153 6.2798 -0.9758 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7457 7.2547 -1.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4157 8.2578 -1.8987 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7585 6.9673 -3.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5114 6.5001 -2.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4058 6.0339 -3.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9167 4.8820 -4.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1096 4.2177 -4.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3433 2.9001 -4.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4694 2.1928 -3.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2569 1.1295 -4.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3127 -0.1276 -4.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5248 -0.7702 -2.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5228 -1.3800 -2.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6084 -1.0802 -0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7774 -0.1208 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1589 -0.7340 1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0745 -0.8529 1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2709 -0.4713 0.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2759 0.1980 -0.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2437 2.1186 6.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1314 1.9522 7.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6154 2.9722 6.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7476 0.9211 5.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4368 0.9114 6.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7336 -0.4196 7.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9282 -2.1752 6.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6468 -2.3302 4.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6207 -0.5747 4.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9815 -2.3426 5.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3984 -0.8196 4.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4596 1.4701 3.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7751 0.7882 3.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2660 0.4031 1.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6769 0.4943 -0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4044 -0.1185 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4749 0.5592 2.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5839 1.9937 -0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5609 3.8361 0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8888 2.1459 3.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1072 3.8895 2.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4408 2.5394 2.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9388 3.2038 3.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5451 5.3915 2.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9105 4.6743 1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3605 6.2815 2.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 5.2070 3.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0774 3.5378 2.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 4.4018 1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 6.4879 2.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7804 5.5453 3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6878 4.9815 1.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3809 3.7387 -0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8815 3.9102 0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9278 1.5587 -1.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3215 1.8998 0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0574 -0.0456 0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4513 0.3059 1.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9370 -1.7058 0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0353 -0.4189 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6089 -0.1114 -1.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4552 -1.3590 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3789 -1.5831 -2.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8975 -2.1337 -3.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2800 -3.4273 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2140 -3.9441 -2.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8519 -5.2679 -1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7277 -3.8664 -0.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5730 -4.9318 -3.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4397 -3.5375 -3.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9822 -6.5489 -2.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4068 -5.5104 -3.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6185 -6.1730 -2.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7832 -4.4351 -2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7192 -4.3044 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7721 -6.1631 -0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -5.9276 -0.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4992 -4.2053 -0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3909 -5.1871 1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0502 -4.1672 1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4609 -6.1742 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2202 -5.9637 3.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2421 -7.6549 2.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2933 -8.2598 2.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1865 -8.4532 0.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5381 -7.9846 -0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7378 -10.2793 -0.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2586 -10.4215 1.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3934 -10.7062 0.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9833 -10.0729 2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3613 -8.9401 0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4356 7.0533 0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6681 6.0907 -0.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1764 6.1894 -3.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 7.8660 -3.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 5.7507 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0967 7.3704 -1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4205 5.6788 -2.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0358 6.8780 -3.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6948 4.2989 -3.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5259 5.4769 -4.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6716 4.7782 -5.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 2.3744 -5.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0336 2.8157 -2.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3515 1.7453 -3.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9062 1.4586 -5.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9419 -0.8260 -4.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 0.0210 -2.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0559 -1.6025 -3.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 -2.1195 -2.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3917 -1.5945 -0.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1505 0.5399 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5534 0.6109 0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9174 -1.1483 1.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2486 -1.3804 2.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0333 -1.3525 0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 0.2391 1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3867 0.2717 -0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8602 -0.4501 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9824 1.2535 -0.5803 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 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 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 1 0 41 42 1 0 42 43 1 0 23 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 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 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 23 96 1 1 24 97 1 0 24 98 1 0 26 99 1 0 26100 1 0 27101 1 0 27102 1 0 28103 1 0 28104 1 0 29105 1 0 29106 1 0 30107 1 0 30108 1 0 31109 1 0 31110 1 0 32111 1 0 32112 1 0 33113 1 0 33114 1 0 34115 1 0 34116 1 0 35117 1 0 35118 1 0 36119 1 0 36120 1 0 37121 1 0 37122 1 0 38123 1 0 38124 1 0 39125 1 0 39126 1 0 40127 1 0 40128 1 0 41129 1 0 41130 1 0 42131 1 0 42132 1 0 43133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 48138 1 0 48139 1 0 49140 1 0 49141 1 0 50142 1 0 50143 1 0 51144 1 0 51145 1 0 52146 1 0 53147 1 0 54148 1 0 54149 1 0 55150 1 0 56151 1 0 57152 1 0 57153 1 0 58154 1 0 59155 1 0 60156 1 0 60157 1 0 61158 1 0 62159 1 0 63160 1 0 63161 1 0 64162 1 0 64163 1 0 64164 1 0 M END