HMDB0264820 RDKit 3D PA(20:2(11Z,14Z)/20:3(5Z,8Z,11Z)-O(14R,15S)) 126126 0 0 0 0 0 0 0 0999 V2000 -15.8115 5.3793 1.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4132 4.7148 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2114 3.2376 0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1200 3.0467 1.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0155 1.5151 1.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9589 1.2766 2.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8928 0.5643 2.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6844 -0.0585 1.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4612 0.4345 0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4584 -0.2917 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4093 -1.7384 0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2018 -2.2642 0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9358 -1.8267 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7227 -2.4027 0.8861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4691 -1.9666 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2180 -0.4907 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9909 -0.2330 -0.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5448 1.1929 -0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4094 1.4057 -1.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2281 0.5880 -1.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 0.2434 -2.3505 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1422 0.1682 -0.0731 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3396 -0.6328 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -1.9314 -0.7278 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1747 -2.8132 0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0712 -3.9712 -0.4908 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -5.0440 0.4167 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2263 -6.3492 0.5468 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3021 -4.3470 1.9224 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4415 -5.2849 -0.4427 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2278 -2.7335 -0.9422 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4141 -3.2393 -2.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -2.9674 -3.0985 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5289 -4.0847 -2.6002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5267 -3.3125 -3.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1428 -2.1928 -2.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1205 -1.4207 -3.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4103 -1.3513 -3.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9731 -2.0842 -1.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9916 -3.0442 -2.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2391 -3.0472 -2.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8561 -2.0932 -1.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8970 -1.3656 -1.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9205 -0.0781 -2.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8629 0.7894 -1.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4550 1.7907 -0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0829 1.1143 0.5681 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8205 1.9174 0.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0915 3.0013 1.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5266 3.0471 2.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7683 4.1435 3.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4894 5.5343 2.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3623 5.8499 1.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3867 6.2981 1.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4148 4.6344 2.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8961 5.6583 2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4870 5.1724 -0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2410 4.8859 -0.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8204 2.8181 -0.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1366 2.7233 0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1337 3.3530 1.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3768 3.5173 2.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9194 1.1038 0.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0027 1.2384 2.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0941 1.7301 3.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1124 0.4000 3.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5480 -0.1046 0.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4948 -1.1600 1.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3750 1.5298 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6041 0.2234 -0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2805 -2.2581 0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2783 -2.1390 -0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1995 -1.8839 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2362 -3.3601 0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9471 -2.2707 -0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8663 -0.7364 0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7861 -3.5025 0.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7303 -2.0679 1.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5395 -2.2927 -0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5805 -2.4653 0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0752 0.0955 -0.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9652 -0.1760 1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3127 -0.4970 -1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1918 -0.9400 -0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3851 1.8740 -0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1898 1.4480 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7348 1.2422 -2.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1386 2.4936 -1.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1348 -0.1203 -0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6661 -0.8195 0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4848 -1.8747 -1.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8953 -3.1046 1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6982 -2.3114 0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0703 -4.8203 2.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1480 -5.7162 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0954 -4.5174 -1.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1723 -4.9249 -3.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -4.0272 -3.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0471 -2.7915 -4.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3753 -2.4625 -1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2499 -1.4709 -2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7294 -0.8632 -4.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0262 -0.7417 -3.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2306 -2.7307 -1.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3541 -1.4138 -1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6307 -3.8004 -3.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8943 -3.8105 -2.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1885 -1.5305 -0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3668 -2.8152 -0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7137 -1.9648 -2.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7677 0.3731 -2.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5398 1.4555 -2.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9576 0.3153 -1.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0933 2.6066 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9528 1.2583 0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7467 4.0054 1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4793 2.7966 2.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7663 2.0896 2.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2035 3.0741 1.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2944 3.9400 4.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8871 4.1367 3.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6518 6.2261 3.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4452 5.6643 2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9130 4.9487 1.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7960 6.2287 0.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0914 6.6338 1.8742 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 2 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 24 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 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 48 46 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 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 0 23 90 1 0 24 91 1 6 25 92 1 0 25 93 1 0 29 94 1 0 30 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 53126 1 0 M END