HMDB0266380 RDKit 3D PA(20:3(5Z,8Z,14Z)-O(11S,12R)/24:1(15Z)) 140140 0 0 0 0 0 0 0 0999 V2000 17.1251 2.9073 1.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7283 3.0312 2.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9179 1.7902 2.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6998 1.4406 0.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9756 2.4848 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8745 1.9559 -1.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7310 1.7452 -2.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3998 1.9973 -1.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5893 0.6961 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3831 0.0809 -2.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1854 -0.5698 -1.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6478 -1.8362 -1.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7063 -1.6433 0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7180 -1.7567 1.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3414 -2.1089 0.8722 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3749 -1.0961 1.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5034 -0.4361 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4019 -0.6675 -0.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5795 0.6401 -1.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4835 1.5820 -1.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1124 1.0694 -1.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1065 1.6620 -1.0602 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8471 0.0236 -2.4115 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -0.4613 -2.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7631 -0.9758 -1.6064 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4431 -2.2165 -0.9888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5466 -2.7453 -0.0321 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2421 -4.1186 0.6766 P 0 0 0 0 0 5 0 0 0 0 0 0 3.6347 -3.8366 1.1457 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1903 -5.3900 -0.4461 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3085 -4.5405 2.0223 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5529 -1.4605 -2.1659 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6998 -1.0049 -1.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7478 -0.1711 -0.7638 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8639 -1.5776 -2.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1812 -1.5985 -1.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3335 -2.3746 -0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6254 -1.9648 0.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0550 -0.6260 1.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5454 -0.7484 1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0436 0.5323 2.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4326 0.6555 2.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9922 -0.1268 3.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0401 -1.5913 3.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8226 -2.0665 2.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2651 -1.6249 2.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9625 -2.1700 1.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3822 -1.8307 1.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0053 -1.1302 0.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3011 -0.5897 -0.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3703 0.9419 -0.7637 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8340 1.3497 -0.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9679 2.8547 -0.9298 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4213 3.2332 -0.9749 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1180 2.6580 -2.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5793 3.0893 -2.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6090 4.5972 -2.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5491 3.9320 1.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7317 2.1805 2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9511 2.6394 0.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8947 3.1548 3.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2976 3.9444 2.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9809 1.8265 2.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5222 0.9444 2.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0790 0.4972 0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6445 1.1501 0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4863 3.4709 -0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0051 2.6413 0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7780 1.7159 -1.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7313 1.3420 -3.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8518 2.6174 -2.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3334 2.5620 -0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7200 0.7747 -0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2815 -0.6026 -1.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6576 -2.0083 -1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3249 -2.7086 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6874 -1.3764 0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9115 -1.5764 2.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0617 -3.0553 1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2718 -2.4582 -0.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3362 -0.8101 2.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8241 0.3101 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3887 -1.0439 -1.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0952 -1.4049 -1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5526 1.0915 -1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4147 0.4010 -2.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6029 2.4972 -1.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5064 1.8926 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7252 -1.3280 -3.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9786 0.2658 -3.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5998 -0.2176 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3152 -1.8723 -0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6329 -2.9454 -1.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7925 -6.2076 -0.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3557 -4.6809 1.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6119 -2.6230 -2.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0472 -1.0291 -3.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9075 -2.0370 -2.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5495 -0.5407 -1.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9341 -3.4243 -0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4231 -2.6117 -0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5476 -2.0701 0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 -2.7065 1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4776 -0.4432 2.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9271 0.2224 0.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 -1.5259 2.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1064 -1.1280 0.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3772 0.8550 3.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8492 1.3796 1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0960 0.5919 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5780 1.7714 3.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0660 0.2201 4.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3832 0.1760 4.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6380 -1.9406 4.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0773 -2.0852 3.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8198 -3.1940 2.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3914 -1.7172 1.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7687 -2.0890 3.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3277 -0.5219 2.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3661 -1.9554 0.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8985 -3.2971 1.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0270 -2.1917 2.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1020 -0.9444 0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7699 -0.9382 -1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2460 -0.8323 -0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7929 1.2960 -1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9045 1.4040 0.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3414 0.9656 0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2346 0.9025 -1.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5146 3.3522 -0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5123 3.2523 -1.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5510 4.3370 -0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8867 2.7724 -0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0723 1.5696 -2.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7113 3.0619 -3.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0317 2.6862 -1.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1567 2.6535 -2.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6828 4.9853 -2.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6492 4.9248 -1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5176 4.9491 -2.6934 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 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 2 0 49 50 1 0 50 51 1 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 11 9 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 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 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 0 24 90 1 0 25 91 1 1 26 92 1 0 26 93 1 0 30 94 1 0 31 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 57138 1 0 57139 1 0 57140 1 0 M END