HMDB0053749 RDKit 3D TG(20:3n6/16:1(9Z)/20:3n6) 165164 0 0 0 0 0 0 0 0999 V2000 1.3725 3.7224 -3.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4268 3.4928 -2.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2105 3.3642 -1.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1898 2.2267 -1.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5741 0.8607 -1.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6847 0.5744 -0.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -0.4520 0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9797 -1.3769 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4169 -2.7272 -0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5722 -3.4585 -1.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3441 -3.0269 -2.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8062 -2.7805 -3.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -2.8356 -4.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5762 -3.1940 -3.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1924 -4.4542 -4.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3928 -4.9152 -3.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1102 -5.2756 -1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4016 -5.7696 -1.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2913 -6.1915 0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8879 -5.1447 1.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8111 -4.3929 1.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6267 -4.8981 1.6158 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2328 -3.9247 2.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7109 -4.0449 3.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0578 -2.9019 4.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3398 -2.8101 4.4072 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -1.8675 5.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5564 -1.1515 5.9424 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5464 -1.6402 4.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4519 -2.6466 5.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8963 -2.4292 5.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6101 -1.2648 5.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2227 0.1123 5.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1662 0.6126 3.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4068 0.7033 3.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9245 1.8131 2.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2112 3.0950 2.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6888 3.6998 1.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0036 4.8935 1.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9098 5.8473 1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4433 7.1248 2.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2694 7.6207 2.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0100 7.0123 2.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2848 7.8655 1.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9783 7.1525 0.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1453 7.9025 -0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 7.1418 -0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0775 -4.0503 4.0893 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8755 -4.9332 4.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 -5.9213 5.2999 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3286 -4.7935 4.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9229 -3.5933 4.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 -2.3089 4.7271 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9520 -1.0792 4.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5790 -1.1085 2.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0669 0.1316 1.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6576 0.0333 0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0584 1.2213 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2822 2.0541 -1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8175 1.9216 -1.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2725 1.7739 -2.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5674 2.9564 -3.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0002 2.7851 -4.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3439 4.0178 -5.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8153 3.9388 -6.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8806 2.7690 -4.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1388 4.4601 -3.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7956 4.0458 -4.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3034 4.3370 -2.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1077 2.5515 -2.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7978 4.3060 -1.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5063 3.1916 -0.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8682 2.4075 -2.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7799 2.2442 -0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3222 0.1070 -1.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9231 0.9310 -2.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1621 1.2834 -0.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1748 -0.6398 1.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4177 -1.4903 1.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8337 -1.0786 -0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8008 -3.1638 0.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1099 -4.4638 -1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9873 -2.1333 -2.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2109 -3.7964 -2.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 -2.4804 -4.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4155 -2.5983 -5.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3821 -2.4060 -3.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4992 -3.3329 -2.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4994 -4.2153 -5.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4478 -5.2811 -4.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 -4.0551 -3.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8718 -5.7750 -3.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7711 -4.4146 -1.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3521 -6.0663 -1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7266 -6.6441 -1.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2248 -5.0245 -1.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6323 -7.1097 0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3092 -6.5628 0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -2.9287 2.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1019 -3.8655 2.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3142 -5.0000 4.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5203 -1.9707 4.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2234 -3.0181 5.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 -1.7094 3.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7967 -0.5759 4.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 -3.6479 4.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2524 -2.7603 6.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0003 -2.5554 3.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4597 -3.3602 5.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7433 -1.3719 5.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5761 -1.3612 6.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1318 0.7396 5.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3986 0.5316 5.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5055 1.4915 3.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4806 -0.1638 3.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9580 -0.2110 3.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8403 1.8151 2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4645 2.9477 3.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9304 3.8348 3.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9727 3.1085 1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5240 5.2108 0.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6724 6.1606 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6195 5.3633 2.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 7.8046 2.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1830 8.6544 2.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 5.9972 1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3178 7.1428 2.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8658 7.8836 0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1433 8.8860 1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1751 6.1558 0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4154 7.0295 1.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9216 8.9111 0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7313 7.9600 -1.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2824 6.4318 0.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0397 7.8069 -0.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1332 6.5562 -1.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8614 -5.7112 4.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6455 -4.7755 5.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0362 -3.6561 4.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8432 -3.6936 3.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3139 -2.3066 4.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7633 -2.2467 5.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0606 -1.0589 4.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5504 -0.1789 4.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4768 -1.2048 2.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0732 -1.9826 2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1576 0.2040 1.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6255 1.0438 2.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1964 -0.8649 -0.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6037 -0.1497 0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1579 1.4144 -0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7424 2.8928 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3894 2.8812 -0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4778 1.0509 -0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1885 1.5888 -2.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7490 0.8696 -2.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6477 3.1501 -3.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0834 3.8624 -2.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8776 2.7454 -4.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3880 1.8661 -5.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4538 4.1228 -5.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 4.8927 -5.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4533 4.9389 -7.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 3.3067 -6.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5212 3.4967 -7.6690 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 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 2 0 27 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 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 24 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 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 0 25102 1 0 25103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 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 36117 1 0 37118 1 0 37119 1 0 38120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 47136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 65165 1 0 M END