HMDB0115500 RDKit 3D PA(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z)) 125124 0 0 0 0 0 0 0 0999 V2000 15.9130 0.2074 -0.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8583 1.4650 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1001 1.1042 1.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9846 1.7144 1.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3876 2.7703 0.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0715 2.7452 0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1910 1.8165 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4061 0.4318 0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2996 -0.5042 -0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5009 -1.4936 -0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5097 -1.9535 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2525 -1.4281 1.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1297 -0.8625 1.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9709 -0.6899 1.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7886 -1.4565 1.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6079 -1.2884 0.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3658 -1.9883 1.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9164 -1.5017 2.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6677 -2.2474 3.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6239 -1.9748 2.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5099 -2.7618 1.0374 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2178 -0.8856 2.0808 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1736 -0.6229 1.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4754 -0.3580 -0.2322 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5218 0.7549 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2573 0.9422 -1.2328 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3702 2.1894 -1.0537 P 0 0 0 0 0 5 0 0 0 0 0 0 3.0134 2.1548 0.3119 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6086 2.0789 -2.2062 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 3.6500 -1.2017 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3879 -0.0723 -1.2888 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5167 -0.8466 -2.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 -1.8860 -2.4509 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4106 -0.6130 -3.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1817 0.6442 -3.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0922 0.6786 -2.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1038 -0.4504 -2.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9576 -0.4429 -3.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7539 0.8049 -3.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6928 0.9932 -2.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5268 2.2513 -2.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4922 2.4932 -1.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8962 2.6609 -0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1579 1.8819 0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0187 0.7558 0.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7763 0.1815 -0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0697 0.0367 -0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0059 0.4722 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8135 -0.6927 1.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1013 -1.8268 1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3816 -1.4665 3.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3935 -0.9318 4.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8840 0.0988 -1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5717 0.3784 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1432 -0.6987 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5311 2.2457 -0.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9453 1.5966 0.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5039 0.2745 1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5207 1.3706 2.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2839 3.6383 1.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1137 3.3243 0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7089 3.7366 -0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2164 1.9752 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4368 0.3204 0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7325 0.1991 1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0059 -0.3146 -1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5878 -2.0851 -1.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5271 -1.9922 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6626 -3.1260 0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0443 -1.5493 2.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0772 -0.4962 3.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 0.3756 1.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0311 -1.0181 0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0902 -2.5317 1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6166 -1.1118 2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8630 -1.6332 -0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3840 -0.1955 0.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5378 -3.0804 1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5549 -1.7945 0.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6065 -0.4204 2.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6989 -1.5214 3.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8228 -3.3488 3.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3016 -1.9486 4.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8147 -1.5319 1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 0.2791 1.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0656 -1.2659 -0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0442 1.6734 0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2714 0.4385 0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 1.7874 -3.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6544 3.5250 -1.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7609 -0.5611 -4.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0704 -1.5049 -3.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5126 1.5509 -3.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7311 0.8323 -4.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5175 0.6333 -1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6529 1.6491 -2.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7012 -0.3804 -1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5752 -1.4378 -2.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3476 -0.6996 -4.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6851 -1.2839 -3.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1194 1.7217 -3.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2999 0.7674 -4.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0863 1.0647 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3639 0.1142 -2.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0283 2.2545 -3.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7667 3.0828 -2.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8379 3.5928 -1.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4472 2.0017 -1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1674 3.5243 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6319 2.1221 1.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7033 0.9587 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3827 -0.0903 1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2450 -0.2404 -1.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5535 -0.4383 -1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7597 1.1473 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6169 1.1036 1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6359 -0.3112 1.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3378 -1.1007 0.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4265 -2.3112 1.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8554 -2.6164 2.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5978 -0.7203 3.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9735 -2.4292 3.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8398 -0.7908 5.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7867 0.0113 3.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2499 -1.6471 4.2166 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 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 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 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 0 23 85 1 0 24 86 1 6 25 87 1 0 25 88 1 0 29 89 1 0 30 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 52125 1 0 M END