HMDB0260619 RDKit 3D PE(20:4(5Z,8Z,11Z,13E)+=O(15)/14:0) 118117 0 0 0 0 0 0 0 0999 V2000 -9.4391 -5.0914 3.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5522 -4.0461 2.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1154 -2.7994 3.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8725 -2.2708 3.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3477 -1.0456 3.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1436 -0.4496 2.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2313 0.0746 1.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5739 -0.6695 0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7442 -1.8357 0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 -1.4609 -0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2236 -0.4670 -1.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7810 -0.9631 -2.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7373 0.1291 -3.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3833 0.5894 -3.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8734 0.3211 -5.0968 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6483 1.3018 -3.0665 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 1.7629 -3.4152 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2536 1.0898 -2.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0194 1.5113 -2.9534 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7346 2.6187 -2.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1654 3.5073 -1.9508 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0999 2.9581 -3.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8028 1.8805 -3.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 0.6856 -2.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7529 -0.3084 -3.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9475 -0.7292 -3.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7191 -0.2742 -2.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0853 -1.4476 -1.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7397 -1.6409 -0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9342 -0.7116 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4319 -0.0124 1.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6086 0.0162 2.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7366 -0.6778 1.7206 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9436 -0.6042 2.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0803 -1.3155 1.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0382 -2.0369 0.7635 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3691 -1.1788 2.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4911 -1.9457 1.8642 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3009 -3.4226 1.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1218 -4.0547 3.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3381 -3.7872 4.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3415 3.2651 -3.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7258 3.7930 -2.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7575 5.4807 -2.2126 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.7996 5.9024 -3.2488 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3054 6.1736 -2.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3249 6.0508 -0.7257 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3607 5.9878 0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0674 6.5271 1.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2241 5.6820 1.8322 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7121 -4.9009 2.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8804 -6.0907 2.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9245 -5.0478 4.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5118 -4.4453 3.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6331 -3.7356 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9261 -2.0463 3.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8791 -3.0494 4.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0928 -3.0814 3.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0318 -2.2239 1.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1724 -0.2570 3.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1949 -1.1610 4.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3142 -1.1919 3.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8272 0.3764 3.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2225 0.5885 1.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8839 1.0238 1.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4135 0.0543 -0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6415 -0.8600 0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1393 -2.2709 -0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7155 -2.6627 0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7904 -2.3871 -0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7624 -1.0392 0.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5562 0.5459 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1084 -0.3571 -1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 -1.8710 -3.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8309 -1.3133 -2.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2264 -0.2021 -4.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4047 0.9933 -3.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 1.4595 -4.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2648 -0.0369 -2.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3921 1.2132 -1.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6987 3.4342 -2.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9559 3.8047 -3.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 1.5069 -4.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7299 2.1740 -4.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9974 0.2984 -2.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4755 1.0184 -2.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2137 -0.6925 -4.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3739 -1.4760 -4.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7324 0.1371 -2.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2984 0.5597 -1.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6977 -2.2070 -1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0702 -2.6236 0.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3697 0.0172 -0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0418 -1.3574 0.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6638 0.6169 2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7915 0.6206 3.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7364 -1.2795 0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0261 -0.0067 3.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1800 -1.4735 3.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6445 -0.0916 2.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4541 -1.7287 2.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5830 -1.5771 0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2687 -3.8462 1.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5035 -3.7802 1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0616 -5.1505 3.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1815 -3.7468 3.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2230 -4.1933 3.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2712 -4.3141 4.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5007 -2.7182 4.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4717 3.7181 -3.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2044 3.5953 -4.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4235 6.9749 -3.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 6.5643 0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 4.9190 0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4163 6.5350 2.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4415 7.5497 1.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4803 5.1408 0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9556 4.9917 2.5957 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 2 0 14 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 2 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 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 17 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 17 78 1 6 18 79 1 0 18 80 1 0 22 81 1 0 22 82 1 0 23 83 1 0 23 84 1 0 24 85 1 0 24 86 1 0 25 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 32 96 1 0 33 97 1 0 34 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 46112 1 0 48113 1 0 48114 1 0 49115 1 0 49116 1 0 50117 1 0 50118 1 0 M END