HMDB0052963 RDKit 3D TG(18:3(6Z,9Z,12Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 161160 0 0 0 0 0 0 0 0999 V2000 -5.9293 -8.7178 -0.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2243 -8.1954 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1270 -7.6262 -1.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7520 -6.4232 -1.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4673 -6.5310 -2.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3205 -5.1901 -3.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3295 -4.3968 -3.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 -4.6623 -2.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9733 -4.5175 -3.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0236 -3.6416 -2.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0421 -2.7455 -1.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7482 -2.9104 -1.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -1.8620 -0.8119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3374 -0.4583 -1.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4885 0.3760 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 1.4973 0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0374 2.1335 -0.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3424 2.4183 -0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 3.6396 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0899 4.8221 -0.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9108 5.8244 0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 5.4727 1.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 6.4028 2.2838 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1974 4.3077 2.4681 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5418 4.0407 3.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9295 4.0984 3.7748 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1755 3.5361 5.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 2.3783 5.4025 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3306 1.6977 6.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1038 2.1235 7.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5065 0.5365 6.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3772 0.0769 5.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2822 -1.0467 6.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.5488 5.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4692 -2.1839 4.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4453 -1.7635 2.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1182 -0.5294 2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0685 -0.9016 1.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3265 -0.6035 1.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0120 0.1789 2.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0832 -0.6118 2.8894 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3442 -0.2463 2.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7753 0.9867 2.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4370 1.9813 3.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6808 1.4855 3.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7752 1.1356 2.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1882 2.3303 2.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4737 3.1383 2.8925 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6438 3.4134 2.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1911 4.5194 2.3709 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1501 2.3976 1.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5485 2.6967 0.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9557 1.6775 -0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0725 1.7034 -1.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1046 3.0619 -2.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3583 3.2690 -3.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8573 2.9629 -3.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2851 3.3570 -4.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6709 2.6063 -5.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3481 1.1587 -5.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1747 1.0545 -5.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7234 -0.3069 -5.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 -1.2277 -4.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1622 -2.5942 -4.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9847 -3.5196 -3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8091 -9.7694 -0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0283 -8.1258 -0.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9365 -8.9079 -1.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8021 -8.9857 0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9542 -7.3863 0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4045 -8.4578 -1.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1647 -7.4390 -0.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6722 -5.5682 -1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5896 -6.1696 -2.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6442 -6.6403 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5290 -7.3351 -3.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1498 -4.9108 -3.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2636 -3.4143 -3.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2189 -3.9726 -1.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 -5.6842 -1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9315 -5.1697 -3.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2051 -3.5929 -3.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8657 -3.0688 -1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2224 -1.7233 -2.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4398 -3.8889 -0.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9364 -1.9723 -0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1215 -0.4752 -1.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6478 -0.1597 -1.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 -0.0279 0.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0694 2.0480 1.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1684 1.5073 -1.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 3.0767 -1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9355 1.5485 0.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8385 3.7547 0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0884 4.6725 -0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6841 5.3620 -1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9914 6.0711 0.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5858 6.8195 0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8237 2.9626 3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9513 4.6492 4.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4279 5.0617 3.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8752 4.2626 5.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 3.3090 5.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1282 0.7615 7.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1745 -0.2894 7.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7261 -0.2296 4.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0524 0.8627 5.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9471 -0.5946 7.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6915 -1.8302 6.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7954 -2.3650 5.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9110 -0.7961 4.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9105 -3.1178 4.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8613 -2.3812 2.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5836 0.0150 3.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 0.0606 1.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7123 -1.4892 0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0087 -0.9285 0.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3198 0.6019 3.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3397 1.1172 1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8463 -1.5687 3.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1157 -0.9002 3.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6643 0.6621 1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1247 1.4756 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6720 2.2347 3.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6355 2.9412 2.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4505 0.6185 4.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0709 2.3106 4.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6844 0.8778 3.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5650 0.2934 2.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5801 3.0974 2.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0413 2.0658 1.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3468 2.8087 1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1615 1.3787 1.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 2.4149 0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2255 2.5280 1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7201 3.7276 0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 1.8037 -0.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8750 0.6476 0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 0.9982 -2.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0877 1.3162 -1.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7094 3.8459 -1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1918 3.3975 -2.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 2.6533 -4.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 4.3596 -3.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7652 1.8751 -3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 3.5459 -2.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3949 4.4315 -4.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2843 3.0543 -6.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6591 0.7741 -4.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8572 0.5881 -6.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4606 1.5903 -6.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 1.5703 -4.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3079 -0.8019 -6.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8319 -0.2161 -5.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1115 -0.8226 -3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4803 -1.3409 -4.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2560 -2.3984 -4.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6931 -3.0220 -5.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9728 -4.0561 -3.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1979 -4.2758 -3.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7604 -3.0177 -2.6753 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 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 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 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 1 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 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 36113 1 0 37114 1 0 37115 1 0 38116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 47132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 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 59148 1 0 60149 1 0 60150 1 0 61151 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 65161 1 0 M END