HMDB0266215 RDKit 3D PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)-2OH(5,6)) 127126 0 0 0 0 0 0 0 0999 V2000 14.6030 3.5901 1.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6761 2.1326 1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6083 1.3072 2.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6729 0.4327 2.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5576 0.2037 1.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2698 0.4516 2.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2786 -0.3746 2.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1907 -1.7671 2.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2900 -2.4882 1.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2094 -2.9779 0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1185 -2.9445 -0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6252 -2.2587 -1.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1176 -1.2673 -2.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8839 -0.4642 -2.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2598 0.9158 -1.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8869 1.6757 -0.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9876 1.4594 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 0.2204 0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9429 0.1556 0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0499 1.2718 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0535 1.4058 1.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2888 0.1113 1.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5092 -0.7933 2.0692 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3069 -0.0560 0.2885 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5382 -1.2515 0.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6544 -1.1569 -0.9676 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5488 -0.9843 -2.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1447 0.2495 -2.2611 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0757 0.4021 -3.6630 P 0 0 0 0 0 5 0 0 0 0 0 0 3.7880 -0.8945 -3.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 0.7680 -4.9752 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1793 1.6790 -3.5135 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3098 -0.1473 -0.9893 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 -0.4269 -1.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7883 -1.5973 -1.8425 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6319 0.5955 -1.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7336 0.2831 -2.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4904 -0.9520 -2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2759 -1.0837 -0.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5822 -0.9772 0.2151 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5213 -0.2447 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2117 1.0878 -0.8121 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5489 -0.6994 -0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9505 -2.1055 -0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1593 -2.4652 -0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3203 -1.5557 -0.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4228 -1.8585 0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9617 -1.0643 1.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5613 0.2914 1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4600 1.4113 1.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7032 1.4279 0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4546 0.2589 0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6140 -0.2215 1.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8370 0.5852 1.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7281 1.8915 2.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1744 2.4705 2.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0472 4.1398 0.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6044 4.0362 1.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0446 3.7111 2.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7671 2.0165 0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0807 1.8942 0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4321 1.4710 3.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7073 -0.1503 3.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6827 -0.7283 1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6444 0.9768 0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1176 1.4976 2.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3492 0.0334 3.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2120 -2.0056 1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0184 -2.3583 3.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2287 -2.6593 2.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1289 -3.5153 0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 -3.9670 -0.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2593 -2.4023 -0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5847 -2.6791 -2.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6601 -0.8787 -3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2898 -1.0048 -1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2590 -0.4267 -3.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9826 1.3354 -2.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3528 2.7105 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6741 1.5510 1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3009 2.3368 0.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8106 -0.7226 0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4779 -0.8336 0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5107 2.2555 -0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 1.0332 -0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5920 1.5487 2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3763 2.2664 1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2941 -2.0683 0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9993 -1.4741 1.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1709 -2.1243 -1.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2406 -1.8337 -2.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8114 -1.0980 -3.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2481 1.1749 -4.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8531 2.3920 -2.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0237 0.7762 -0.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1303 1.5527 -1.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2424 0.2009 -3.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4452 1.1527 -2.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9185 -1.8827 -2.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2888 -0.9827 -3.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6084 -2.1936 -0.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1258 -1.7967 0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9307 -0.3746 -2.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4423 1.3153 0.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3674 -0.0003 0.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9803 -0.7083 0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2181 -2.9328 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3876 -3.5420 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7216 -1.8512 -1.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0175 -0.5311 -0.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8370 -2.8792 0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7819 -1.4938 1.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6943 0.5077 0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9674 0.3672 2.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0574 2.4490 1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1911 2.4539 0.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8863 -0.5539 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9943 0.6735 -0.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3358 -0.5621 2.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9498 -1.1859 0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5848 -0.0206 1.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3918 0.7373 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4381 1.7320 3.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1770 2.6867 1.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8749 1.6268 2.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2222 3.0286 3.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3627 3.1234 1.2747 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 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 41 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 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 25 88 1 0 25 89 1 0 26 90 1 6 27 91 1 0 27 92 1 0 31 93 1 0 32 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 40102 1 0 41103 1 0 42104 1 0 43105 1 0 43106 1 0 44107 1 0 45108 1 0 46109 1 0 46110 1 0 47111 1 0 48112 1 0 49113 1 0 49114 1 0 50115 1 0 51116 1 0 52117 1 0 52118 1 0 53119 1 0 53120 1 0 54121 1 0 54122 1 0 55123 1 0 55124 1 0 56125 1 0 56126 1 0 56127 1 0 M END