HMDB0283829 RDKit 3D PE(20:4(5Z,8Z,11Z,14Z)-OH(18R)/22:1(13Z)) 142141 0 0 0 0 0 0 0 0999 V2000 -0.7314 -0.0894 -9.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4478 0.8240 -9.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2169 1.9083 -8.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1173 1.3198 -6.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 2.4262 -5.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6585 1.8858 -4.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4689 0.9961 -3.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2458 0.4753 -2.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1742 1.5886 -1.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0432 1.7010 -0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1566 0.7714 -0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1147 0.1505 1.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2638 -0.8153 1.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1728 -2.0070 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3373 -2.9380 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2445 -4.1019 -0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2313 -5.1365 -0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7761 -4.8623 -0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2918 -4.2264 -1.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1587 -3.9258 -1.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7784 -3.0194 -0.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9267 -3.3529 0.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0243 -4.0263 1.0502 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1637 -3.1047 1.8716 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5952 -3.5267 3.1509 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3510 -2.5666 4.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9264 -1.2801 4.1305 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6615 -0.3771 5.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0908 -0.8254 6.1043 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1135 1.0050 5.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0694 1.9627 4.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4595 3.4309 4.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5742 4.2270 4.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3815 5.1451 3.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9925 5.4675 2.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2818 6.9044 3.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6152 7.7705 2.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7806 7.5237 0.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1911 7.9572 0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1006 7.1574 0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9544 5.7063 -0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2593 5.5067 -1.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 4.7668 -1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1341 4.0401 -1.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0761 2.5250 -1.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7266 1.9412 -1.1170 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7315 2.4884 -1.9216 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3979 1.9112 0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0207 1.3170 0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -4.7843 3.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -4.4558 3.5782 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5407 -5.7759 4.0701 P 0 0 0 0 0 5 0 0 0 0 0 0 2.5636 -6.7841 2.9601 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8355 -6.5082 5.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0662 -5.2392 4.4474 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0354 -5.6530 3.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3449 -5.0599 4.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4579 -5.4255 3.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6867 -0.5213 -10.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6999 -0.9587 -8.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6949 0.4631 -9.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7822 1.2786 -10.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2926 0.1907 -8.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1821 2.4733 -8.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5245 2.6572 -8.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7427 0.7162 -6.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 0.7620 -6.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1564 3.1201 -6.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5643 3.1165 -5.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7373 2.7724 -3.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6234 1.3125 -4.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4508 0.0849 -4.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4091 1.5716 -4.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9063 -0.3381 -2.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7946 0.0248 -2.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6042 2.3497 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8853 2.5806 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0823 1.4422 -0.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3641 0.0592 -1.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2764 0.9781 1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1421 -0.2825 1.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4131 -1.1776 2.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1853 -0.2608 0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2139 -1.6473 -0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2147 -2.5098 0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2566 -2.3118 0.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5177 -3.2083 1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 -3.7551 -1.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2639 -4.6407 -0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4272 -5.8863 -1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4617 -5.8080 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3229 -5.9596 -0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3189 -4.5487 0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8648 -3.2792 -1.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5641 -4.9008 -2.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3934 -3.5250 -2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7564 -4.9174 -1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -2.7121 -1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2365 -2.0174 -0.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6474 -3.9127 3.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7595 -2.4871 4.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7438 -3.0473 5.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3146 1.2958 6.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0504 1.1873 4.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9395 1.7582 5.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0074 1.7327 3.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 3.5097 4.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4198 3.5158 6.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6172 4.0379 4.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1977 5.7040 3.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 4.8661 3.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9478 5.3373 1.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 7.1829 4.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7902 8.8048 2.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1549 8.2662 0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5419 6.5320 0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4789 9.0118 0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1188 7.5533 -0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9484 5.3693 0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6507 5.2123 0.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6196 6.0252 -2.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4018 4.6625 -3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1908 4.3054 -1.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0645 4.1951 -0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5133 2.2989 -2.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7617 2.0796 -0.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7969 0.8625 -1.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0854 2.6921 -2.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1352 1.2021 0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5532 2.8691 0.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4449 1.2534 -0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5357 1.9156 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 0.2760 0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0786 -5.5066 2.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0716 -5.2031 4.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -7.4077 5.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 -5.3209 2.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0975 -6.7642 3.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5806 -5.4045 5.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2868 -3.9632 4.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5154 -6.4676 3.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2879 -4.9726 2.2262 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 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 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 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 36 37 2 0 37 38 1 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 1 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 25 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 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 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 25100 1 6 26101 1 0 26102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 37114 1 0 38115 1 0 38116 1 0 39117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 6 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 54136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 58141 1 0 58142 1 0 M END