HMDB0260987 RDKit 3D PE(20:3(5Z,11Z,14Z)-O(8,9)/16:1(9Z)) 124124 0 0 0 0 0 0 0 0999 V2000 13.6023 0.4885 3.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3957 -0.1622 1.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4392 -0.5216 0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0913 -1.1509 -0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0407 -1.4728 -1.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4064 -0.2143 -1.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1489 0.0635 -1.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1738 -0.8859 -1.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5072 -0.3513 0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2138 -0.1888 0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2863 -0.4822 -0.9286 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5748 0.8281 -1.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8781 1.2229 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2160 1.0048 -1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6585 2.3317 -1.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2080 3.4045 -1.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4845 4.2468 -0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0217 4.2493 -0.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4677 3.9952 1.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7983 2.6143 1.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0694 1.6599 0.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2772 2.0562 -0.2376 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2025 0.2674 0.7419 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4308 -0.5920 -0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0119 -0.4183 0.3181 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0205 -1.0790 1.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3452 -2.3963 1.5582 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3744 -3.1428 3.0602 P 0 0 0 0 0 5 0 0 0 0 0 0 1.8041 -3.3500 3.5254 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4431 -2.1935 4.1866 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4485 -4.6324 2.9332 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 -4.4602 1.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2799 -5.7209 1.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4543 -6.8291 1.3818 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9475 -1.1594 -0.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1126 -0.4986 -0.7977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2139 0.7246 -0.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2384 -1.0409 -1.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0829 -1.9928 -0.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2821 -2.5127 -1.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2042 -1.3603 -1.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5969 -0.6807 -0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5122 0.4812 -0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8708 0.1158 -1.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6363 1.3590 -1.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7822 1.6262 -0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4342 0.5934 0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7695 0.1690 -0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9374 1.0509 -0.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9567 2.3114 -1.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3589 2.9837 -1.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2376 4.2648 -1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1422 0.4602 4.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6026 -0.0017 3.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3925 1.5610 2.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9155 -1.0342 2.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1553 0.5906 1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9490 0.4453 0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7086 -1.2372 1.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7384 -0.3430 -0.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7397 -2.0017 -0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4431 -2.3355 -1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6680 -1.7774 -2.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0688 0.5589 -2.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7979 1.0750 -1.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4935 -1.1659 -1.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6738 -1.8559 -0.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1425 -0.0929 1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7757 0.2137 1.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4924 -1.1798 -0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6258 -0.9668 -1.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3074 1.6499 -1.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4836 0.1906 -1.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5813 2.2260 -1.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0610 2.3703 -2.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3182 3.4556 -1.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9753 5.0459 0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7336 5.3451 -0.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5095 3.7190 -1.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3545 4.1156 0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7904 4.7805 1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3757 2.5273 2.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8634 2.4122 1.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5539 -0.2242 -1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7925 -1.6146 -0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2771 0.6173 0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -0.9123 2.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7731 -0.5637 2.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3258 -1.9811 3.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -3.6206 2.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0633 -4.2133 0.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7525 -5.9829 2.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0618 -5.5449 1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0324 -7.7019 1.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6494 -6.9192 2.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8903 -1.5031 -2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8909 -0.1949 -1.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4156 -2.9107 -0.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2777 -1.6307 0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9278 -3.0282 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7954 -3.2242 -0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6783 -0.7031 -2.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0929 -1.8483 -2.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0997 -1.4481 0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7126 -0.3267 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7604 0.8379 0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1020 1.3382 -1.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2543 -0.7273 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6027 -0.1979 -2.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1970 2.1793 -1.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2255 2.6364 -0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8043 -0.3209 0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5250 1.0739 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7051 -0.2600 -1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0454 -0.7544 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8142 0.4330 -0.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2997 1.2541 0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7422 2.2567 -2.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3192 3.0943 -0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5843 3.2093 0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1318 2.3590 -1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2596 4.6495 -2.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7285 3.9888 -2.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7015 5.0555 -1.2884 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 1 0 13 14 1 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 31 32 1 0 32 33 1 0 33 34 1 0 25 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 1 0 43 44 1 0 44 45 1 0 45 46 2 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 14 12 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 24 84 1 0 24 85 1 0 25 86 1 1 26 87 1 0 26 88 1 0 30 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 52124 1 0 M END