HMDB0265027 RDKit 3D PA(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)-O(14R,15S)) 124124 0 0 0 0 0 0 0 0999 V2000 13.2467 5.6281 1.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8474 5.0007 1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8270 3.8997 0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8766 2.8801 0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9237 1.7214 -0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9698 0.7687 0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8421 -0.4816 0.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5580 -1.2572 0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7795 -2.3427 -0.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1037 -2.6539 -1.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9085 -2.0995 -2.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2274 -0.9593 -1.6547 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9970 -0.9915 -1.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0909 -2.1473 -1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7479 -2.4157 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8486 -3.5720 0.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5123 -3.5910 -0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4589 -2.6694 0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5594 -1.2066 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2438 -0.5637 0.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0497 0.6622 0.4873 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3027 -1.3140 1.1905 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0911 -1.1755 1.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0693 -0.8572 0.8139 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0237 0.4051 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2533 0.4595 -0.6866 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2503 1.8752 -1.6280 P 0 0 0 0 0 5 0 0 0 0 0 0 0.1847 2.3499 -1.8906 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0828 3.0868 -0.8315 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0184 1.4853 -3.0841 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2639 -0.8534 1.6316 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2123 -1.8026 1.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0127 -2.6170 0.4226 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4568 -1.9982 2.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4087 -2.9964 1.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1221 -2.7490 0.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4528 -2.4688 -0.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5919 -1.3493 -1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3931 -0.2101 -1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1733 -0.1101 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4692 0.0361 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3714 0.1282 -1.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2640 -1.0406 -1.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5439 -0.9965 -0.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2886 0.2731 -0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0416 0.3633 0.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9890 -0.6340 0.7602 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5137 0.6439 0.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2713 0.8486 -0.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7385 1.1157 -0.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9516 2.3680 0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4464 2.6289 0.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5789 3.8845 1.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8813 5.0724 2.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6752 5.5261 0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1843 6.7031 1.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5636 4.6404 2.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0858 5.7550 1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0153 4.3078 -0.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8396 3.3828 0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8506 3.3912 0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6260 2.4917 1.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9236 1.3098 -0.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2300 2.1807 -1.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0157 1.1757 0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7507 -1.0750 0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5036 -1.7070 1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7447 -0.5846 0.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6905 -2.9979 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5146 -3.5570 -2.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2360 -1.8598 -3.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1781 -2.9451 -2.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7055 0.0154 -1.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5720 -0.0492 -0.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1758 -1.8528 -1.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5567 -3.0356 -1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4691 -1.4736 0.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7794 -2.6373 0.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8060 -3.8442 1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4400 -4.4750 0.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5785 -3.6343 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0845 -4.6494 0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2187 -2.8326 1.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 -3.0647 -0.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5679 -0.9568 -0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3781 -0.6850 0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1415 -0.3636 2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8311 -2.1044 2.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1907 -1.6887 0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7868 0.4605 -0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0266 1.2787 0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0035 3.9560 -1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8287 2.2012 -3.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1237 -2.3611 3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9539 -1.0145 2.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 -3.2492 2.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8063 -3.9747 1.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5157 -3.8831 0.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1670 -2.3541 0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7845 -3.2497 -1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0106 -1.2625 -2.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0584 0.0371 -2.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6972 0.7334 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6559 -0.1372 0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9657 0.1006 1.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9074 0.2145 -2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9039 1.1156 -0.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7752 -2.0216 -1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1464 -1.9454 -0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7825 1.1828 -1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1236 0.1714 -1.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5115 0.6956 1.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9782 1.0998 1.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1398 -0.0806 -1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8852 1.7048 -1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1553 1.3067 -1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2745 0.2609 -0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4141 2.4205 1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6085 3.2623 -0.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8844 1.7386 0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8302 2.8266 -0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0268 4.6921 0.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1165 3.6926 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6572 4.1137 1.3682 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 2 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 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 23 87 1 0 23 88 1 0 24 89 1 6 25 90 1 0 25 91 1 0 29 92 1 0 30 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 48113 1 0 49114 1 0 49115 1 0 50116 1 0 50117 1 0 51118 1 0 51119 1 0 52120 1 0 52121 1 0 53122 1 0 53123 1 0 53124 1 0 M END