HMDB0263886 RDKit 3D PA(20:3(5Z,8Z,11Z)-O(14R,15S)/18:2(9Z,11Z)) 120120 0 0 0 0 0 0 0 0999 V2000 -13.7323 1.9925 0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5374 0.9414 1.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3736 0.0322 1.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3049 -0.8217 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1406 -0.1857 -1.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8134 0.5452 -1.6045 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7549 -0.4348 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8126 -0.3790 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6719 0.6473 0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7535 0.7224 1.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6493 -0.1055 1.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1263 -1.2520 0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4912 -0.9550 -0.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0417 -2.2638 -1.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3794 -1.9603 -2.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 -1.0608 -2.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1484 -1.7148 -1.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0026 -0.7504 -1.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0703 -0.6463 -1.9804 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9586 0.0638 -0.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 0.9987 0.2746 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6350 0.7441 1.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2362 -0.5239 1.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3263 -0.9331 0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7537 -0.0688 0.1481 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9138 -2.2729 1.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1565 -2.4381 0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2904 -1.5065 0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5885 -1.7873 2.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7591 -2.2028 2.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9123 -2.4412 1.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0878 -1.6181 1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3658 -0.6173 2.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5068 0.0544 3.6311 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1891 1.4704 3.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4797 2.3930 2.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 2.2644 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4986 2.7644 0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1945 2.7374 -1.0462 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9790 1.8986 -0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3189 0.4966 -1.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7246 0.2386 -1.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9663 -1.2083 -1.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4159 -1.3432 -2.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7636 -0.4905 -3.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6539 2.3726 0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 2.5315 -1.0403 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9565 4.0310 -1.1867 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6323 4.8990 0.0321 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5414 4.8152 -2.6175 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6245 3.7785 -1.1874 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.5067 1.6888 -0.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1508 2.9087 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7900 2.3067 -0.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4529 1.4406 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4552 0.2548 1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3906 -0.6032 1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4582 0.6943 1.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4579 -1.5829 -0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2053 -1.5361 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9426 0.4863 -1.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0796 -1.0334 -2.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7726 0.8818 -2.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7461 1.4496 -1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7593 -1.2818 -2.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1370 -1.2257 -0.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4241 1.4735 0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8337 1.6501 2.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7508 -0.4865 2.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7017 0.5750 1.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2129 -1.6370 1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7326 -2.1781 0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0603 -0.3405 -1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5633 -0.3490 -0.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3598 -2.8202 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9326 -2.8775 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0926 -1.4187 -3.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0746 -2.8867 -2.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6991 -0.9445 -3.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4205 -0.0564 -1.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7645 -2.6445 -1.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5352 -1.9107 -0.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8484 1.0815 -0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2462 0.7200 2.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2575 1.5721 1.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0706 -2.5641 2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2036 -3.0758 0.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8927 -2.1226 -0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4843 -3.4817 0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9585 -0.4368 0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1039 -1.6540 -0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7519 -1.6310 2.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7927 -2.4404 3.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2771 -3.5390 1.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7257 -2.4270 0.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0008 -1.9325 1.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4370 -0.2293 2.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0937 -0.0128 4.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5933 -0.5220 3.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5304 1.8853 4.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0864 3.4478 2.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1911 2.9402 1.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6864 1.2668 1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0887 3.8096 0.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1048 2.3561 -1.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6732 0.1866 -1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9928 -0.2334 -0.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4521 0.4992 -0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9964 0.8973 -2.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3323 -1.4958 -2.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7980 -1.8535 -1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5976 -2.4151 -2.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0446 -1.0700 -1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0491 0.5536 -3.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9407 -0.4631 -4.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6875 -0.9121 -3.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1916 3.1002 0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4128 2.4144 1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 4.7186 -2.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0920 4.3697 -1.8268 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 2 0 8 9 1 0 9 10 2 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 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 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 21 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 40 38 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 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 6 22 84 1 0 22 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 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