HMDB0283777 RDKit 3D PE(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/22:0) 142141 0 0 0 0 0 0 0 0999 V2000 -0.3052 1.6296 0.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9752 2.8427 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7901 2.8795 -1.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1938 3.9060 -1.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3017 5.0395 -0.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2976 5.6739 -1.7571 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7479 6.0737 -0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2395 7.1670 0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9841 7.2897 0.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3979 8.4198 1.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 8.5452 1.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7527 7.6176 1.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1843 7.0356 2.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2091 5.7312 3.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8304 4.6871 2.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0317 3.8138 1.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 3.7164 0.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2697 4.3625 -0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9681 3.5050 -1.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8387 2.5715 -1.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9852 1.5510 -0.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2327 1.5755 0.5236 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9128 0.5406 -0.5691 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0239 -0.4534 0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7659 -1.2773 0.3447 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7041 -2.3899 1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 -1.8605 2.6341 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6863 -3.0878 3.7936 P 0 0 0 0 0 5 0 0 0 0 0 0 2.3550 -2.8467 4.4804 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6287 -4.5930 2.9899 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9337 -3.1171 4.8803 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 -1.9107 5.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5903 -2.2229 6.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5298 -3.1076 5.5847 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6168 -1.8263 -0.9715 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5089 -1.6677 -1.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5394 -1.0101 -1.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -2.2077 -3.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -2.0411 -3.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8755 -2.5630 -5.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -2.4827 -5.6456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4885 -3.3339 -4.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8535 -3.2186 -5.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8261 -4.1100 -4.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9456 -3.7670 -3.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4471 -2.3667 -3.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4899 -2.2194 -1.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0068 -0.8679 -1.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1507 -0.5726 0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9993 -0.5390 1.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1672 -1.7096 1.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9644 -2.8907 2.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0266 -4.0319 2.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4621 -5.2360 2.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4737 -6.1948 2.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8950 -6.0182 2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6235 -5.1197 1.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4399 -5.2226 0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0121 0.7896 1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5464 1.2567 0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0491 1.9497 1.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 2.7079 0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6906 3.7664 0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1623 2.0243 -1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 3.9093 -2.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8099 4.7628 -0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5151 5.0996 -2.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0764 6.4690 -1.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6503 5.5957 -0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9361 7.9721 0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6851 6.5314 0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6232 9.1783 1.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8078 9.4495 2.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6277 8.2010 1.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4633 6.8330 0.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4853 7.7109 3.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5347 5.3653 4.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0906 3.9901 2.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3286 4.9764 1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4059 3.2629 2.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4929 3.0393 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 5.1706 -0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2003 4.9582 -0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 3.0226 -2.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7353 4.2247 -2.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9028 3.1873 -1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7038 2.0462 -2.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -1.1061 0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1796 -0.0299 1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 -0.6532 0.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 -3.2270 1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6692 -2.8197 1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8548 -5.0817 3.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0171 -1.4057 4.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7677 -1.1831 5.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0680 -1.3061 6.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1252 -2.7404 7.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0535 -3.7849 4.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3232 -2.6053 5.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9876 -1.6405 -3.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5638 -3.2754 -3.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1984 -2.4823 -2.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6636 -0.9464 -3.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -2.0310 -5.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1422 -3.6544 -5.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4187 -2.9195 -6.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8527 -1.4497 -5.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5076 -3.0213 -3.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2186 -4.4048 -4.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7793 -3.5636 -6.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1915 -2.1695 -5.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8399 -3.9907 -5.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4928 -5.1623 -4.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9831 -3.9304 -2.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7263 -4.4648 -2.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4662 -2.2159 -3.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7852 -1.5842 -3.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0368 -3.0448 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4248 -2.2859 -1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3167 -0.1072 -1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0242 -0.7748 -1.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6702 0.4477 0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9809 -1.2549 0.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2832 0.2456 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2425 -0.0301 2.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4527 -2.0374 0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4777 -1.3895 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6941 -3.1008 1.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4294 -2.5707 2.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2341 -3.5607 3.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3635 -4.2033 1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -5.8628 3.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5873 -4.9226 4.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0888 -6.8576 1.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3598 -7.0333 3.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3278 -7.0759 2.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3020 -5.8988 3.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7561 -5.3610 1.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6273 -4.0767 1.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3917 -5.2422 -0.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9116 -4.3491 -0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9224 -6.1144 -0.3202 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 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 25 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 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 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 24 88 1 0 24 89 1 0 25 90 1 1 26 91 1 0 26 92 1 0 30 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 58142 1 0 M END