HMDB0264070 RDKit 3D PA(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/18:2(9Z,12Z)) 122121 0 0 0 0 0 0 0 0999 V2000 -16.1833 1.2884 0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7330 0.5311 -0.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1982 1.5240 -1.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9887 1.5667 -2.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9140 0.6321 -1.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7426 1.3201 -1.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3181 1.0433 -0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8707 0.0888 0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1319 -1.0504 1.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9475 -1.4368 0.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9925 -0.8611 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6034 -1.9058 -0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3513 -2.3039 -1.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3475 -1.7054 -0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8168 -2.7995 0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5315 -3.0420 0.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -2.2954 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1993 -2.6195 0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9021 -3.7164 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3914 -3.2831 2.4657 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5424 -4.2162 1.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5468 -3.4407 1.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1675 -2.3337 1.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0665 -1.6426 1.8715 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9938 -1.8553 -0.0619 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 -0.7904 -0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6188 0.5437 0.0426 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2668 1.1460 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7168 0.4822 0.5733 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2119 1.2902 0.3479 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.6857 0.9387 -1.0394 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3635 0.8513 1.4626 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9192 2.9781 0.4564 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5586 1.3774 -0.6977 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 1.9395 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6672 1.6134 1.2324 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6361 2.8208 -0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9201 2.1917 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6033 1.5980 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8581 2.6335 1.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5929 2.0097 2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9582 1.4529 2.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8421 2.5541 1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1779 2.1321 1.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6898 2.2508 -0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9331 2.8298 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5834 2.1156 -2.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 0.9038 -2.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5464 -0.1295 -2.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6877 -1.4023 -1.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4698 -2.4363 -1.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6955 -3.7143 -0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4162 -3.4509 -0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8412 2.3341 0.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2791 1.2537 0.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7350 0.8569 1.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0267 -0.2382 -0.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6114 0.0165 -1.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8886 2.3269 -2.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7254 2.3614 -2.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2546 -0.1601 -1.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4895 0.1748 -2.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2144 2.0914 -1.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4524 1.6551 0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9505 -0.1794 0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0858 0.7460 1.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6447 -1.7088 2.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5945 -2.3715 1.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4015 -0.0546 -0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1964 -0.3983 0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3755 -2.2856 -1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0274 -3.0589 -1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5853 -0.8109 0.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4811 -1.4039 -0.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5176 -3.4347 1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2589 -3.8901 1.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7057 -1.4719 -0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5317 -2.0046 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5498 -4.6282 0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7705 -2.5387 2.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6296 -5.2317 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2315 -4.6165 0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2061 -3.0905 2.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 -4.1852 2.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3863 -0.7420 -1.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7711 -1.1496 -0.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8907 0.4706 1.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0215 1.0416 -1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2459 2.2450 0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0555 1.5372 1.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0127 3.2955 1.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7413 3.7869 -0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 3.1847 -1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7437 1.4469 -1.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5896 2.9868 -1.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5812 1.1711 -0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0215 0.7344 0.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8844 3.0061 1.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3610 3.5409 0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6705 2.7039 3.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9807 1.0889 2.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4244 1.1390 3.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8039 0.6103 1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2617 3.1449 0.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0094 3.2551 2.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8649 1.6652 1.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7516 1.9374 -0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5424 3.7576 -1.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0153 3.3859 -0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9818 2.7620 -3.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4488 0.5712 -3.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0418 0.1154 -1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3874 -0.4749 -2.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4452 -1.8441 -2.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7746 -1.0966 -1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4586 -2.5779 -1.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6554 -2.0399 -0.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4902 -4.2024 -1.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3268 -4.4020 -0.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3920 -2.4070 0.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5649 -3.7407 -0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3244 -4.0688 0.7983 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 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 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 27 34 1 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 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 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 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 18 78 1 0 19 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 26 85 1 0 26 86 1 0 27 87 1 1 28 88 1 0 28 89 1 0 32 90 1 0 33 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 45107 1 0 46108 1 0 46109 1 0 47110 1 0 48111 1 0 49112 1 0 49113 1 0 50114 1 0 50115 1 0 51116 1 0 51117 1 0 52118 1 0 52119 1 0 53120 1 0 53121 1 0 53122 1 0 M END