HMDB0263307 RDKit 3D PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/16:0) 120119 0 0 0 0 0 0 0 0999 V2000 14.6247 -4.0916 -2.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7774 -2.6341 -2.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3131 -1.7862 -1.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4075 -0.3414 -2.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0679 0.6466 -1.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7422 0.8146 -0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1170 -0.3275 0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8232 0.0935 0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7866 0.6340 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5441 1.0513 0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9625 -0.1433 1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4379 -1.2148 0.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2382 -0.7409 -0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1092 -0.3542 0.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9029 0.0926 -0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8108 0.4542 0.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1145 -0.5141 1.2659 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5913 1.7428 1.2649 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6021 2.0535 2.1957 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5674 3.0273 1.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2722 2.6360 0.7715 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1543 1.5559 0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1356 0.9297 1.9501 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0224 1.2217 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0167 0.1269 0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9526 0.4535 1.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 1.6232 0.9655 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1401 2.7993 0.7261 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9515 1.4106 -0.0148 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8010 2.5361 0.0087 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7516 0.2083 0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8466 -0.2018 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5707 -1.3783 0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6654 -1.7877 -0.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4083 -2.9302 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4831 -3.3517 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0151 -2.6684 -1.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1064 -3.0637 -2.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5164 -2.2343 -3.6279 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.4278 -1.9746 -4.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0066 -0.8804 -3.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1704 -1.1145 -2.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6180 0.2128 -1.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8115 -0.0712 -0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4189 -1.0166 0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3376 2.4988 3.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1289 3.6103 3.2468 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9127 4.1034 4.6345 P 0 0 0 0 0 5 0 0 0 0 0 0 2.9561 4.8827 5.5178 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4806 2.7922 5.5308 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 5.1063 4.2657 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5004 -4.4110 -1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7054 -4.1841 -1.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5286 -4.7054 -3.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8218 -2.4125 -3.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1390 -2.4801 -3.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9721 -2.0519 -0.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2983 -2.1101 -1.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5076 -0.1600 -2.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8737 -0.1034 -3.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8204 0.4570 -0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4751 1.6537 -1.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0213 1.1553 -1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7686 1.7393 0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7932 -1.1298 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7943 -0.7781 0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4735 -0.8144 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1048 0.8302 1.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5411 -0.0613 -0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1800 1.5609 -0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8822 1.7734 1.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8610 1.5324 0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1150 0.2382 2.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6832 -0.5353 2.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0686 -2.0363 1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1841 -1.6703 -0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5538 0.1306 -0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9096 -1.5758 -0.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7761 -1.2529 1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3257 0.4753 1.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 -0.7244 -0.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1372 0.9509 -0.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0868 1.0862 2.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0662 3.2123 2.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9842 4.0292 1.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 0.7745 -1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4865 2.0955 -0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4276 -0.7621 0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5254 -0.1383 -0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5688 -0.4544 1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3767 0.5987 2.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3545 1.8006 1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7391 3.1752 1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5698 1.2199 -1.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2071 3.3276 0.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5118 -0.3977 1.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1866 0.3237 -1.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2622 -1.9434 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9385 -1.1925 -1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0369 -3.4820 0.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0181 -4.2628 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4935 -1.7874 -2.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6197 -3.9292 -2.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3662 -2.6492 -4.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9437 -1.1568 -4.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1858 -0.4124 -2.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3066 -0.1903 -3.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9135 -1.7760 -1.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0090 -1.6214 -2.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8331 0.6160 -0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9770 0.9219 -2.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1197 0.8739 -0.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6624 -0.5086 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8084 -2.0379 0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3234 -1.0224 0.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8302 -0.6907 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0184 1.6925 3.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5804 2.6538 4.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4557 2.6939 5.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0890 5.5236 3.3920 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 1 0 7 8 1 0 8 9 1 0 9 10 1 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 16 18 1 0 18 19 1 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 27 29 1 0 29 30 1 0 29 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 19 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 19 83 1 1 20 84 1 0 20 85 1 0 24 86 1 0 24 87 1 0 25 88 1 0 25 89 1 0 26 90 1 0 26 91 1 0 27 92 1 1 28 93 1 0 29 94 1 6 30 95 1 0 31 96 1 0 32 97 1 0 33 98 1 0 34 99 1 0 35100 1 0 36101 1 0 37102 1 0 38103 1 0 39104 1 6 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 50119 1 0 51120 1 0 M END