HMDB0268111 RDKit 3D PA(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/i-19:0) 128127 0 0 0 0 0 0 0 0999 V2000 -16.3221 1.4695 3.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0814 0.9717 3.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6567 2.0131 2.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7867 2.1414 1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6483 3.1031 0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5492 2.9188 -0.8461 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.5532 1.6850 -1.4961 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2484 3.3638 -0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1838 2.5486 -0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9200 3.0551 0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8541 2.3138 0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8617 0.8613 -0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4397 0.1048 1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3824 -0.6644 0.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5533 -0.8796 -0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5013 -1.6775 -0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6357 -1.9344 -1.2634 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5750 -2.7783 -0.9153 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2012 -0.7402 -2.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4135 0.2853 -1.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1205 -0.1270 -0.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1982 -0.6263 -1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5923 -0.6695 -2.9345 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8793 -1.0673 -1.4474 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1676 -1.5255 -2.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2352 -1.9755 -2.3116 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3252 -3.1196 -1.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5214 -4.1937 -1.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6591 -5.4281 -0.6063 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0377 -5.5462 -0.0273 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1925 -6.8648 -1.3982 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 -5.1083 0.6573 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0736 -0.9340 -1.8509 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 -0.4622 -2.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 -1.0794 -3.7987 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0452 0.5947 -2.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3025 0.3305 -1.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3090 -0.5896 -2.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0195 -2.0364 -2.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7800 -2.6386 -0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9838 -2.4150 0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2377 -3.0260 -0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4905 -2.8345 0.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1895 -1.5350 0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5578 -0.3323 0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2545 0.9658 0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5824 1.2178 1.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7625 0.5628 0.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0591 0.9101 1.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6487 2.2260 1.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0710 3.5016 1.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6682 3.6634 3.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2269 4.2786 0.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3285 2.5739 4.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4397 0.9475 4.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1997 1.1634 3.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2500 0.8386 3.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2548 0.0433 2.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7196 1.6714 1.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4894 2.9639 2.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0628 1.1223 0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6916 2.4539 1.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5939 4.1404 0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6359 3.0748 -0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8057 3.6389 -1.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2137 1.0699 -1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0855 4.3794 -0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3250 1.5374 -0.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8504 4.1111 0.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9294 2.7415 0.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8746 0.5398 -0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1779 0.7351 -1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0073 0.1990 1.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0857 -1.2078 1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7594 -0.4220 -1.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2486 -2.1706 0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2431 -2.5630 -1.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8662 -3.4752 -0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1695 -0.2135 -2.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7945 -1.0543 -3.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2159 1.1193 -2.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0401 0.7750 -0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2233 -0.8704 0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6495 0.7993 -0.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2031 -0.7007 -3.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7886 -2.3425 -3.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5912 -2.3563 -3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0678 -2.8202 -0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3559 -3.5230 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7948 -6.9686 -1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1112 -5.5073 1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5075 1.4091 -1.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2685 1.1476 -3.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0356 -0.0578 -0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7635 1.3666 -1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3339 -0.4496 -1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4632 -0.2592 -3.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1794 -2.3481 -2.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9117 -2.5360 -2.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9222 -2.1225 -0.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5782 -3.7008 -0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0483 -1.4194 0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6827 -3.0299 1.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1035 -4.1619 -0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -2.7179 -1.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3169 -3.2077 1.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2266 -3.6143 -0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8188 -1.3379 -0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0498 -1.7644 1.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1321 -0.4693 1.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6364 -0.1338 0.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2689 1.3021 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5670 1.7759 1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5537 0.8328 2.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7193 2.3054 1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6958 -0.5563 0.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8770 0.8737 -0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8132 0.0948 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9775 0.5769 2.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7386 2.1215 1.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9441 2.3870 0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0689 4.2107 1.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5825 4.7747 3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6869 3.2451 3.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4750 3.3481 3.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7098 5.2011 0.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0169 3.6164 -0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2436 4.5762 1.2864 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 6 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 2 0 16 17 1 0 17 18 1 0 17 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 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 51 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 6 7 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 15 75 1 0 16 76 1 0 17 77 1 6 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 25 85 1 0 25 86 1 0 26 87 1 6 27 88 1 0 27 89 1 0 31 90 1 0 32 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 52123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 53128 1 0 M END