HMDB0115215 RDKit 3D PA(20:5(5Z,8Z,11Z,14Z,17Z)/22:0) 133132 0 0 0 0 0 0 0 0999 V2000 -12.9474 3.9765 0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9627 4.1816 -0.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8766 3.2072 -0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6273 2.3514 -1.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3393 2.2049 -2.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0467 1.0180 -3.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2433 -0.0897 -2.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7872 -0.4562 -1.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0553 -0.7890 -0.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1933 -1.9825 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2407 -3.0996 -0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8728 -3.5055 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6534 -3.4832 1.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4451 -3.0509 0.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7845 -1.9115 1.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5565 -1.9081 1.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6773 -3.0886 1.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2251 -3.5769 3.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5030 -2.5380 3.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2517 -2.0602 3.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6028 -1.0992 3.7938 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6383 -2.5415 2.0843 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4233 -2.0265 1.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4526 -0.5772 1.1876 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2067 -0.4265 -0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5527 -0.6574 -0.0411 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2842 -0.4793 -1.5633 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.2367 -1.6311 -1.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1742 0.9521 -1.6555 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1012 -0.4321 -2.7835 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0779 -0.2549 0.8509 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4288 0.7292 1.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 1.2720 2.5083 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9387 1.2013 1.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 0.1636 1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9552 -0.8485 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0983 -0.2750 -1.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2802 0.5235 -1.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6464 -0.0043 -1.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2137 -0.4869 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6653 -0.9204 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5484 0.1989 -0.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5665 1.3677 0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4809 2.4671 -0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9447 2.0023 -0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8226 3.1239 -0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2604 2.8857 -0.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8716 1.8925 -1.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5531 0.4573 -1.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7749 -0.1840 -0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1586 -0.1246 0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1310 -0.7960 -0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5197 -0.7288 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8780 0.7340 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6382 4.8370 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3968 3.9194 1.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5561 3.1020 0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4774 4.3506 -1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4831 5.1877 -0.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2300 3.1978 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7260 1.6851 -1.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5908 2.4684 -3.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0440 3.0954 -3.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5082 1.0533 -4.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8397 -0.8643 -3.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0324 -1.2239 -1.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3945 0.4028 -0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8114 -0.0358 -0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1229 -2.2408 0.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8931 -3.9846 -0.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4699 -3.0376 -0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6958 -3.8432 1.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5010 -3.8104 2.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6655 -2.8317 -0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8202 -3.9769 0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3554 -0.9825 1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1479 -0.9731 2.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7140 -2.7090 1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9920 -3.8854 1.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0623 -4.0427 3.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5353 -4.4477 2.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3348 -2.8523 4.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1562 -1.6110 3.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6484 -2.2032 2.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1601 -2.6548 0.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8424 0.0396 1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7835 -1.2137 -0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0412 0.5499 -0.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8896 1.4972 -2.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0824 0.4235 -3.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0111 1.7322 0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2014 1.9537 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8986 -0.4224 2.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9732 0.6694 1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9034 -1.3024 0.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6264 -1.6762 0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1616 0.3579 -1.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9306 -1.1352 -1.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2436 1.4945 -0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1369 0.9149 -2.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8073 -0.7950 -2.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 0.8245 -1.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1694 0.3056 0.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7491 -1.3862 0.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1116 -1.4090 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6552 -1.6804 -1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3268 0.4770 -1.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5788 -0.2671 -0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5520 1.7406 0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9828 1.0189 1.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2345 2.7777 -1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4195 3.3368 0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2660 1.6804 0.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9281 1.1247 -0.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5670 4.0027 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4566 3.5095 -1.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6881 2.8112 0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7440 3.8993 -1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5819 2.1938 -2.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0024 2.0576 -1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5692 0.2236 -1.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3056 -0.0563 -2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0704 0.1698 0.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5099 -1.2801 -0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1475 -0.6582 1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4608 0.9259 0.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1536 -0.3441 -1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8141 -1.8521 -0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4731 -1.2641 0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2108 -1.2256 -0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9423 0.8862 -0.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2820 1.4073 -0.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7446 0.9967 1.2560 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 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 1 0 44 45 1 0 45 46 1 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 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 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 13 73 1 0 14 74 1 0 14 75 1 0 15 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 1 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 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 54133 1 0 M END