HMDB0267468 RDKit 3D PA(20:4(5Z,8Z,11Z,13E)+=O(15)/i-13:0) 107106 0 0 0 0 0 0 0 0999 V2000 14.8671 -3.5244 0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9703 -2.0180 0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0409 -1.4799 1.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6463 -1.9222 0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6320 -1.4439 1.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6692 0.0411 1.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4126 0.5798 2.8114 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9399 0.8911 1.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1659 0.3148 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4272 1.1195 -0.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6695 0.5603 -1.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4718 -0.8506 -1.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1785 -1.4905 -1.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0381 -0.9976 -1.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7043 0.3740 -1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8079 1.0161 -2.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6072 1.4125 -1.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9786 1.2976 -0.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6296 2.7048 -0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7405 3.4650 -0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4098 2.8876 -1.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4372 3.5804 -1.9265 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 1.6443 -0.8198 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2181 1.0358 -1.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2681 1.8661 -0.3697 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0407 1.7273 1.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0639 0.3745 1.4522 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8023 0.1627 3.0974 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.6854 1.0619 3.9288 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0238 -1.4398 3.5722 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 0.5328 3.3685 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5498 1.2601 -0.5895 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6548 1.9996 -0.9547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5271 3.2418 -1.0933 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0171 1.4138 -1.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9761 2.3260 -0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4008 1.7088 -0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3883 2.5394 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8158 2.2821 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4506 1.0509 0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1254 -0.1891 -0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8974 -1.3830 0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5564 -2.5959 -0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2891 -3.8308 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9056 -4.9941 -0.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7479 -3.5277 0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8725 -3.9978 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4954 -3.9206 1.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1602 -3.8269 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0161 -1.6960 0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5953 -1.5702 -0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1340 -0.3826 1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3943 -1.9872 2.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5860 -3.0421 0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3483 -1.5918 -0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9314 -1.8353 2.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6444 -1.8624 1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0201 1.9593 1.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1315 -0.7492 0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4565 2.2214 -0.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1571 1.2621 -2.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9163 -1.0206 -3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2126 -1.4913 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1846 -2.5984 -2.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1689 -1.7122 -1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2157 0.3112 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5574 1.0227 -1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1892 1.1527 -3.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0149 1.8912 -2.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0359 0.6870 -0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5986 0.8766 0.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5707 3.2965 0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1194 2.6245 0.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5432 4.4551 -0.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2576 3.7484 -1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 0.8342 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1486 0.0232 -0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2338 2.9234 -0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1157 2.2333 1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9239 2.2080 1.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -1.7865 3.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0653 1.2613 4.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1116 0.3998 -0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2176 1.4068 -2.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8338 2.2572 0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9698 3.3626 -0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2429 0.6802 -0.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5197 1.7814 -1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0151 2.7352 1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2428 3.6035 -0.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3373 3.1411 0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1978 2.5274 -1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3392 0.9264 1.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5845 1.1964 0.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5070 -0.1023 -1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0860 -0.4709 -0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9801 -1.1563 0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6494 -1.5036 1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8583 -2.4624 -1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4852 -2.8584 -0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8700 -4.0476 1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8030 -5.0083 -0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2304 -5.9719 -0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2988 -4.8299 -1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0791 -2.8406 -0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9592 -2.9979 1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3236 -4.4741 0.0456 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 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 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 44 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 8 58 1 0 9 59 1 0 10 60 1 0 11 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 24 76 1 0 24 77 1 0 25 78 1 6 26 79 1 0 26 80 1 0 30 81 1 0 31 82 1 0 35 83 1 0 35 84 1 0 36 85 1 0 36 86 1 0 37 87 1 0 37 88 1 0 38 89 1 0 38 90 1 0 39 91 1 0 39 92 1 0 40 93 1 0 40 94 1 0 41 95 1 0 41 96 1 0 42 97 1 0 42 98 1 0 43 99 1 0 43100 1 0 44101 1 0 45102 1 0 45103 1 0 45104 1 0 46105 1 0 46106 1 0 46107 1 0 M END