HMDB0054103 RDKit 3D TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 165164 0 0 0 0 0 0 0 0999 V2000 5.3242 0.1992 8.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 0.5394 8.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 -0.6412 8.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5248 -1.3064 6.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6212 -2.5207 6.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2509 -2.0991 6.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5925 -2.2624 5.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2027 -2.9233 4.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -4.0896 3.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3344 -4.2653 2.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2253 -3.2924 1.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2476 -4.0476 0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4376 -4.0871 -0.7569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7371 -3.3958 -0.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7085 -4.4765 -1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3483 -4.4891 -2.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2326 -3.4580 -3.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5984 -2.9219 -3.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9949 -1.7050 -3.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1988 -0.4475 -3.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 0.4366 -4.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7372 1.7485 -4.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5742 2.7416 -4.6558 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4295 2.1250 -4.6253 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0247 3.5028 -4.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5243 3.6199 -4.5412 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1356 2.7104 -5.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3897 2.3768 -5.2115 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3808 1.7044 -5.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2648 1.3527 -7.0052 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6307 1.4038 -5.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9476 0.4707 -3.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5533 -0.7093 -4.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6557 -1.7496 -4.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8736 -1.8195 -3.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8541 -0.6966 -2.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3856 0.0689 -2.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2621 0.3135 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1929 -0.1590 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1132 1.1150 0.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0293 1.4911 1.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2742 0.7458 1.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3411 0.3817 3.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 -0.8377 3.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4921 -2.0266 2.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8149 -2.7909 3.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7293 -3.9780 2.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9786 -4.7995 2.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8746 -5.9710 1.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1667 3.1502 -3.2207 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6258 3.9688 -2.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0062 5.0743 -3.0167 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 3.6794 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1095 4.6899 -0.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7485 4.6995 0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9476 4.8918 1.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9996 3.9755 2.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 2.7843 3.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0879 1.5954 2.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5184 1.7179 2.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1099 1.2352 1.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 0.4841 0.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9379 -0.9067 0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2995 -1.2699 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4479 -0.9744 0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6784 -1.5998 -0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9175 -1.3693 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4510 -0.4673 9.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8483 1.1474 8.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8311 -0.1934 7.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8424 1.3022 7.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5126 1.0514 9.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9888 -1.3268 8.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9885 -0.2288 7.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5566 -1.6473 7.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4839 -0.5673 6.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1571 -3.0533 5.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6229 -3.0876 7.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7479 -1.6077 7.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4525 -1.9012 5.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1919 -3.3878 4.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2466 -2.1629 3.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2473 -4.8076 4.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9564 -5.1438 2.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -2.5406 1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0954 -2.6670 1.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2181 -4.5574 0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0411 -4.6668 -1.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1771 -3.0378 0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6067 -2.5985 -1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8353 -5.2669 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 -5.3465 -2.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8739 -4.0103 -4.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5972 -2.6361 -3.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4037 -3.6802 -3.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0647 -1.4916 -3.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1599 -0.7402 -3.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6542 0.0392 -2.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9512 -0.1928 -5.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4409 0.4587 -4.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3026 3.8719 -5.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5532 4.1120 -3.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1728 4.6020 -4.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0919 3.2844 -6.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5219 1.8142 -5.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0141 2.2409 -4.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3412 0.8049 -5.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1716 1.2009 -3.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7537 0.3007 -3.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 -1.2758 -4.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4243 -0.4696 -5.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5754 -2.6766 -4.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2164 -2.7063 -3.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6993 -1.3174 -1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7703 -0.2117 -2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6221 0.5036 -3.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1364 0.9253 -1.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2744 -0.6976 0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1014 -0.7364 0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1847 1.6977 0.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 2.4545 2.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4559 -0.0821 1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1698 1.4535 1.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3121 1.1760 4.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4809 -1.0169 4.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4386 -1.8267 1.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6553 -2.7209 3.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8071 -3.1063 4.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6388 -2.1119 2.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8523 -4.5826 2.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6418 -3.6554 1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8733 -4.1963 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0706 -5.2207 3.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8320 -6.1789 1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5033 -5.7438 0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2737 -6.8993 1.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 3.7636 -0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5494 2.6755 -1.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9692 4.6889 -1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6803 5.7442 -0.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3853 3.7622 0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5736 5.5088 0.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4468 5.9439 1.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 5.2044 2.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4063 4.6674 3.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1269 3.7170 1.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6395 3.1247 4.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2684 2.3697 3.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5348 1.0277 2.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 0.8730 3.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1907 2.2505 3.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1997 1.4490 1.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5811 1.0904 -0.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3905 0.4461 0.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 -1.3330 -0.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5559 -1.4957 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -2.4108 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -0.9259 -1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3812 -1.5450 1.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7529 0.0635 0.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4638 -2.6888 -0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7222 -1.2486 -1.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6032 -2.2459 0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6899 -1.3918 1.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4541 -0.4386 0.4913 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 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 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 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 67165 1 0 M END