HMDB0284407 RDKit 3D PE(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 135134 0 0 0 0 0 0 0 0999 V2000 -13.9819 2.1145 -2.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4173 1.8985 -1.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8064 0.4940 -2.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1742 -0.3751 -1.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2465 -0.0179 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3986 -0.8217 1.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4058 -0.3819 1.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9648 0.9784 1.9219 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6811 1.4810 1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6253 0.9017 1.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5536 -0.5193 0.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1201 -0.7601 -0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9951 -1.4433 -0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1594 -1.9569 0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0756 -3.4302 0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9632 -4.1067 0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6114 -3.5198 0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7155 -3.7758 1.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1177 -2.8348 1.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2563 -1.4120 1.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 -0.7510 1.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1760 -1.4186 0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7007 -2.4298 -0.3265 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9382 -0.9764 -0.2749 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3512 -1.7198 -1.3323 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0586 -2.3027 -0.8961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9274 -1.3287 -0.5316 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -1.7291 -0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3871 -2.9770 -0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2855 -0.8269 0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9172 0.6382 0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0833 1.5224 0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 1.3099 -0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3853 0.9054 0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4570 0.6730 1.7130 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5855 1.8112 2.4902 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6223 -0.2008 2.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7618 0.2621 2.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8278 -0.6873 2.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9726 -0.2964 3.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3060 1.0509 3.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3891 1.7929 3.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1231 1.3939 2.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0749 0.1704 1.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9564 -0.0559 0.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8717 -1.3323 -0.3366 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1043 -2.2712 0.3421 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2766 -1.9127 -0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0467 -0.9495 -1.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1793 -0.4128 -1.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8445 -0.7005 0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9799 0.6087 1.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2246 -0.8323 -2.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4495 0.2832 -2.3304 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4118 1.1455 -3.7994 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8104 1.3475 -4.3508 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4762 0.2885 -4.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 2.6645 -3.6145 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6088 3.5768 -3.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0069 4.9323 -2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4192 5.4672 -4.1757 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.9573 2.9466 -3.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2644 2.2567 -1.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6886 1.1957 -3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5199 2.3062 -0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1013 2.5323 -2.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7840 0.1384 -3.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4457 -1.4093 -1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1056 1.0356 0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3337 -0.2251 0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6229 -1.8976 1.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9105 -1.1390 2.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7527 1.6952 1.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1401 1.2498 3.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5385 2.5961 1.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6882 1.5186 0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9241 -1.1093 1.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5919 -0.9864 0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6837 -0.4028 -1.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6621 -1.6407 -1.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2886 -1.5457 1.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1084 -1.5419 -0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0136 -4.0009 0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0537 -5.2075 0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5735 -2.5498 -0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1579 -4.2000 -0.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5571 -4.8148 1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4584 -3.1242 2.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9111 -1.1396 0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7007 -0.9243 2.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2869 -0.8382 2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 0.3391 1.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0102 -2.5918 -1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -3.0107 -1.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1933 -2.9256 0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1926 -1.0550 -0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5412 -1.0839 1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6242 0.8069 -0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0138 0.8594 0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7309 2.5709 0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2906 1.5702 1.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2157 1.4868 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2609 0.7479 -0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5649 0.0637 2.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1287 1.6458 3.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5850 -1.2510 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8379 1.3066 2.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7068 -1.7469 2.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7195 -1.1258 3.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5386 1.0563 4.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4140 1.7434 3.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6013 2.8245 3.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9151 2.1314 1.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3828 -0.6477 1.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6739 0.6937 0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4407 -1.2151 -1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2598 -2.3838 -0.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6512 -2.1792 0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0602 -2.8172 -1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6769 -0.6181 -2.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6830 0.3063 -1.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3268 -1.4633 0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8790 -1.0984 0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0607 0.8741 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4755 1.4393 0.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6767 0.4525 2.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8729 -1.4424 -3.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2661 -0.4950 -2.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8903 -0.4934 -4.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4582 3.6405 -3.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 3.1747 -2.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8518 4.9290 -2.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7681 5.6480 -2.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0944 4.8109 -4.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 6.3640 -3.9987 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 25 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 6 26 94 1 0 26 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 34103 1 0 35104 1 1 36105 1 0 37106 1 0 38107 1 0 39108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 43113 1 0 44114 1 0 45115 1 0 46116 1 6 47117 1 0 48118 1 0 48119 1 0 49120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 57129 1 0 59130 1 0 59131 1 0 60132 1 0 60133 1 0 61134 1 0 61135 1 0 M END