HMDB0266458 RDKit 3D PA(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/24:1(15Z)) 142141 0 0 0 0 0 0 0 0999 V2000 20.0415 1.4366 -1.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6919 0.7826 -1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6535 1.6701 -0.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7361 1.3750 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6596 0.0116 0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7756 0.0998 2.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8124 -0.3305 2.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5421 -0.9328 2.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4272 -0.0690 2.8861 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5407 0.5462 2.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6065 0.4021 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7891 1.7460 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0169 2.2762 -0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8343 1.7562 -1.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3079 0.4503 -1.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1105 0.1519 -0.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1721 1.1723 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9833 0.8739 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4534 -0.4406 0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -1.2584 0.9462 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0842 -1.2667 -1.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0821 -0.7286 -1.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7798 -0.4617 -1.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8032 -0.4374 -2.1397 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4832 -0.2459 -0.0181 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2595 -0.0164 0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2753 -1.1071 0.7006 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1600 -2.1594 -0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -1.8223 -1.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2796 -3.1000 -2.5298 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6541 -4.1918 -2.0404 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3492 -2.5004 -3.9763 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8037 -3.7642 -2.8065 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0418 -0.7004 1.2173 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5255 -0.9803 2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0536 -1.7037 3.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8631 -0.4308 2.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8754 -1.3926 2.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6756 -1.4454 0.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -0.2497 -0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1114 0.3300 -0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2322 0.7338 0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1007 -0.2591 0.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7493 -1.2069 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5906 -0.4841 -1.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6948 0.2656 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6344 -0.5958 0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2419 -1.6316 -0.5286 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2241 -2.5411 0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5288 -2.2407 0.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2475 -1.1732 0.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9343 0.1008 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9656 0.4973 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3529 0.5723 -0.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5340 1.5458 0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9684 1.5741 0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9270 1.9921 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6182 3.3738 -0.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6830 4.4403 0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0507 2.4775 -1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1716 1.5105 0.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8750 0.8305 -1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6816 0.7847 -2.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6923 -0.2571 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6688 2.7051 -1.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9916 2.1489 0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7987 -0.5418 0.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5528 -0.6030 0.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7080 0.5408 2.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9628 -0.2368 3.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5386 -1.2334 1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4855 -1.9249 3.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3106 0.0827 3.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7719 1.1463 2.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4569 -0.2541 0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6560 -0.0835 0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6541 2.3646 0.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3192 3.3469 -1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0846 1.8017 -2.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0590 2.5857 -1.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9482 -0.4104 -1.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8783 -0.8839 -0.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4573 2.2480 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3358 1.7388 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5401 -0.4220 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3361 -0.8441 1.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9511 -1.7511 -1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5825 -2.2032 -0.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 0.1802 -2.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9457 -1.4881 -2.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4901 0.4016 1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7568 0.9232 0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7067 -1.7288 1.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1532 -2.5706 -0.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6402 -3.0782 0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3668 -2.1870 -4.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8512 -4.6534 -2.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0295 0.5822 2.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0532 -0.5053 3.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8287 -1.0811 2.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6296 -2.3980 2.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7054 -1.9566 0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4321 -2.2318 0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2121 -0.3913 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1357 0.5739 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5016 -0.3107 -1.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8359 1.2803 -1.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9242 1.4238 -0.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8479 1.4125 1.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7453 -0.8787 1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9396 0.3592 1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3281 -1.9366 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9042 -1.7699 -0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9681 -1.2100 -1.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9775 0.2337 -1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2583 0.7876 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3655 1.1049 0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3374 -0.0035 0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0184 -1.1493 1.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5450 -1.2014 -1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3178 -2.2603 -0.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6530 -3.0364 0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2195 -3.4696 -0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0421 -3.1545 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2872 -1.2470 0.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0522 0.9099 0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9899 0.2915 -0.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8920 -0.2215 -2.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6778 1.4942 -1.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0117 0.8174 -1.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6650 -0.4650 -0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1408 2.5243 0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9422 1.1581 1.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0499 2.1073 1.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2252 0.4972 1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8947 1.2836 -0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9477 1.9741 0.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6337 3.3893 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3904 3.5906 -1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5433 4.3031 1.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8748 5.4116 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7283 4.5977 0.9051 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 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 27 34 1 0 34 35 1 0 35 36 2 0 35 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 2 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 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 0 26 92 1 0 27 93 1 1 28 94 1 0 28 95 1 0 32 96 1 0 33 97 1 0 37 98 1 0 37 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 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 59140 1 0 59141 1 0 59142 1 0 M END