HMDB0264182 RDKit 3D PA(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/18:3(6Z,9Z,12Z)) 121120 0 0 0 0 0 0 0 0999 V2000 -18.1482 1.2382 0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2499 0.0108 0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3451 0.0192 -1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0357 0.0039 -1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2572 -0.0255 0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4054 -1.2850 0.1717 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.5461 -1.2575 -0.9485 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5269 -1.3441 1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4702 -0.5728 1.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6414 -0.6631 2.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5772 0.1005 2.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1359 1.0747 1.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0452 1.8152 1.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5686 2.8203 1.0046 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5665 3.5727 1.6246 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9474 2.1178 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8203 1.3184 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5898 1.5291 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1367 2.5133 -1.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5417 2.2461 -2.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3033 1.1307 -2.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6231 -0.1700 -2.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4483 -1.0905 -2.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -0.5673 -1.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4348 0.5986 -0.9277 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2217 -1.2788 -1.1082 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -0.8567 -0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8237 -2.0476 -0.3069 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1310 -3.2686 0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -3.0887 1.6032 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0515 -4.4322 2.2785 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.4613 -5.3488 1.2161 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0953 -5.2597 3.3158 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2739 -3.9190 3.2285 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0056 -1.8248 0.4071 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1911 -1.9962 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1776 -2.3389 -1.4695 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5579 -1.8257 0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4154 -1.3361 1.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6222 -1.1929 2.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6674 -0.2426 2.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2318 -0.5392 0.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3001 0.2520 -0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8036 1.5942 -0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6473 2.7423 -0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9197 2.7612 -0.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8361 1.6084 -0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4975 1.3913 -1.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7944 1.3832 -2.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7809 1.5883 -1.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6869 0.3482 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7070 0.5447 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5693 -0.7048 0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5802 -0.5244 1.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8420 1.1452 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6605 1.2483 1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5199 2.1545 0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9734 -0.8504 -0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7557 -0.0491 1.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8393 0.0436 -2.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5169 0.0137 -2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8108 0.0793 1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5351 0.8481 0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0388 -2.1954 0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5983 -2.1050 -1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7695 -2.0342 2.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2585 0.0974 0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8948 -1.3770 3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9635 0.0036 3.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6846 1.2212 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5010 1.6392 2.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4329 3.4444 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9486 4.1110 2.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8151 2.7882 -1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7843 1.3864 -0.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0160 0.5188 0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8362 0.8514 0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 3.2878 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0088 3.2308 -1.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2179 3.1595 -2.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 1.1416 -3.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4089 -0.2558 -1.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1847 -0.6914 -3.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7463 -2.0774 -1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9815 -1.3525 -3.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5586 -0.6457 0.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 0.0053 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -2.3138 -1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2989 -3.5764 -0.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8634 -4.0928 0.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1631 -4.8371 4.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7515 -3.1745 2.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0285 -1.0794 -0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1291 -2.7973 0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7015 -2.0263 2.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8582 -0.3502 1.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 -2.2356 2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2598 -0.8865 3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4908 -0.2611 2.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2561 0.7862 2.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6644 -1.5492 0.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7448 -0.2011 -1.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9089 1.6608 -1.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1984 1.7998 0.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.7503 -0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3790 3.7664 -0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5250 0.7226 -0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7084 1.9696 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8518 1.2223 -2.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1285 1.2036 -3.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5233 2.3664 -1.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4938 1.9734 -0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1954 0.1024 -1.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0219 -0.5052 -0.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3148 1.4491 -0.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1682 0.6616 1.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0418 -0.9718 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8759 -1.5161 0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1627 -0.9123 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8683 0.5306 1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4664 -1.1418 1.0416 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 28 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 6 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 6 15 73 1 0 16 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 21 81 1 0 22 82 1 0 22 83 1 0 23 84 1 0 23 85 1 0 27 86 1 0 27 87 1 0 28 88 1 6 29 89 1 0 29 90 1 0 33 91 1 0 34 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 42101 1 0 43102 1 0 44103 1 0 44104 1 0 45105 1 0 46106 1 0 47107 1 0 47108 1 0 48109 1 0 49110 1 0 50111 1 0 50112 1 0 51113 1 0 51114 1 0 52115 1 0 52116 1 0 53117 1 0 53118 1 0 54119 1 0 54120 1 0 54121 1 0 M END