HMDB0261101 RDKit 3D PE(20:4(5Z,8Z,11Z,14Z)-OH(18R)/18:0) 132131 0 0 0 0 0 0 0 0999 V2000 9.8775 -5.0651 0.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3511 -5.1296 1.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1378 -3.8936 0.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1404 -3.1634 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8095 -2.6759 -0.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8952 -1.9060 -2.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -0.7346 -2.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5138 0.3568 -1.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4129 1.2669 -1.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0196 1.0394 -0.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2018 0.1010 -1.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7075 0.0431 -0.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0990 1.3586 -1.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6856 1.5870 -0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5937 0.8061 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 -0.6462 -1.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4157 -1.0614 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -0.4524 1.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 -0.6027 2.2673 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3104 0.2781 0.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2161 0.9085 0.9512 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1176 0.4546 0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0795 1.2573 1.0661 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3778 1.2319 2.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7636 0.3548 3.0944 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3148 2.0800 3.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9881 3.1813 2.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9887 2.9705 1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 2.2085 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0584 1.0736 -0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1224 0.2695 0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7472 0.6779 1.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0115 0.9961 1.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0250 0.9849 0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1435 0.0978 1.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5055 -0.9363 0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8782 -1.4019 -0.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3609 -2.7901 -0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7784 -3.7820 -1.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7872 -3.7675 -2.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9321 -4.7004 -2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7372 -4.3808 -0.8328 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.0157 -4.2885 0.3233 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8996 -3.4723 -1.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6131 -2.1054 -1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2624 2.4238 0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2468 2.7356 -0.6112 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2862 4.4142 -0.7948 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8189 4.8343 -1.7662 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7395 4.9272 -1.4851 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0661 5.1828 0.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5335 6.4964 0.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3563 7.2158 1.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 6.6090 3.0754 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4587 -5.7770 1.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4496 -5.5013 -0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -4.0996 1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7608 -5.9609 0.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6055 -5.5274 2.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9465 -3.1479 1.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2236 -4.1910 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7709 -2.2224 -0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7079 -3.6688 -1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0724 -3.4875 -0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4068 -1.9560 -0.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4349 -2.6815 -2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8937 -1.8381 -2.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8342 -0.3140 -3.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8250 -1.1464 -1.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7502 -0.0173 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4840 1.0188 -1.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7653 2.1154 -0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4123 1.9214 -2.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4868 2.0334 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0781 0.6835 0.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5231 -0.9588 -1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2290 0.1652 -2.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6566 -0.3690 0.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2872 -0.6786 -1.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1666 1.5564 -2.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6708 2.2295 -0.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4768 2.6799 -1.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5903 1.7047 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5909 1.3170 -1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6805 0.9330 -2.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1245 -1.3191 -1.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4295 -0.9207 -1.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3638 -0.8715 0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2693 -2.1606 0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1691 0.7632 2.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3295 -0.5970 0.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1967 0.7692 -0.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0041 1.4469 3.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6588 2.5597 3.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4829 3.8235 3.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1902 3.8634 2.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1121 4.0704 0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0246 2.8533 1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 2.6923 -0.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5437 0.6878 -1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6167 -0.7406 0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8710 -0.0799 -0.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1202 0.7086 2.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3603 1.2944 2.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5058 2.0215 0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6058 0.8256 -0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7147 0.3193 2.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3630 -1.5537 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6742 -1.4357 -1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1014 -0.7362 -1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5983 -2.9588 0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3324 -4.7774 -1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0961 -2.8146 -2.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2791 -4.2853 -3.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5534 -4.7293 -2.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4606 -5.7164 -1.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3006 -5.4268 -0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5398 -4.5926 1.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4595 -3.3146 -0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6853 -3.9179 -1.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5925 -1.5387 -1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3608 -2.0849 -2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9287 -1.5271 -0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1832 2.8221 1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6249 2.8874 1.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9779 4.2936 -2.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 6.4288 0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0535 7.0958 -0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7385 8.2525 1.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7394 7.3158 2.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 5.9508 3.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8778 6.0712 2.7922 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 1 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 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 1 0 42 43 1 0 42 44 1 0 44 45 1 0 21 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 21 90 1 1 22 91 1 0 22 92 1 0 26 93 1 0 26 94 1 0 27 95 1 0 27 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 1 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 50126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 M END