HMDB0268215 RDKit 3D PA(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/i-20:0) 131130 0 0 0 0 0 0 0 0999 V2000 16.2061 3.3771 -0.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8877 4.1485 -0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8695 3.4554 -1.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6433 2.0248 -1.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1183 1.9740 0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7971 2.6828 0.5061 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4020 2.5709 1.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7556 2.0861 -0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5090 0.7702 -0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4897 0.1600 -1.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2171 -1.1335 -1.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9183 -2.0533 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3487 -2.8135 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1396 -2.7823 1.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -1.9435 0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8568 -1.9836 1.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6892 -1.1367 0.8220 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2864 -1.7055 -0.4258 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1708 0.2520 0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2437 1.3205 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1571 1.6030 1.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2147 0.4745 1.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8827 -0.1196 0.2795 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7141 0.0726 2.5311 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8423 -0.9604 2.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5031 -0.7772 2.1411 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3854 -2.0102 2.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -3.1316 1.9138 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7474 -4.5199 2.2665 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9514 -5.7731 1.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2302 -4.6259 3.8732 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1413 -4.5405 1.2823 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5716 -0.6510 0.7587 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2673 0.3308 0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8943 1.1949 0.7286 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2861 0.3738 -1.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2127 -0.7798 -1.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 -0.5924 -1.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5015 -1.7492 -1.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7086 -1.9043 -3.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5848 -2.9977 -3.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0158 -3.0946 -3.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8077 -2.8014 -2.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9508 -1.3504 -1.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6727 -0.9870 -0.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0224 -1.5653 -0.5809 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9685 -1.4051 0.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5910 -0.0954 0.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6224 0.9233 1.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9348 2.2160 1.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5751 3.3867 1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9374 3.4079 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1566 2.6174 -0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4257 4.8607 0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2203 2.5739 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0639 4.0495 -0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2798 2.9001 -1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0742 5.1561 -1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5225 4.2257 0.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9148 3.9944 -1.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2738 3.4067 -2.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8433 1.6154 -1.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5573 1.4281 -1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8375 2.4149 1.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9873 0.9249 0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9142 3.7694 0.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4432 2.7707 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1546 2.6734 -1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1047 0.2204 0.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9222 0.8142 -1.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4330 -1.4713 -1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 -2.8728 -0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9407 -1.6637 0.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0175 -3.5416 1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8531 -3.4446 2.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2113 -1.2465 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 -2.6703 2.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8576 -1.2815 1.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7628 -1.2662 -1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7356 0.5369 1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9877 0.2115 -0.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8134 2.2965 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7451 1.0951 -0.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5735 1.8330 2.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5449 2.5005 0.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3017 -1.8814 2.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7511 -1.2202 3.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0554 0.1149 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4817 -2.0726 3.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3819 -1.7853 2.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -5.5102 4.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4231 -3.6428 1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2838 0.2319 -1.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7396 1.3316 -1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7268 -1.7122 -1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2781 -0.7180 -2.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5124 -0.5881 -0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9736 0.3878 -1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3677 -1.7442 -0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9107 -2.6770 -1.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6944 -2.0389 -3.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0236 -0.8969 -3.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1230 -3.9708 -3.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3527 -3.2439 -4.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5303 -2.5303 -4.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2839 -4.2064 -3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2933 -3.3088 -1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8053 -3.3362 -2.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7440 -0.9498 -2.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0510 -0.7827 -2.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0626 -1.4171 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5381 0.0953 -0.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8482 -2.7124 -0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5534 -1.3901 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8819 -2.0818 0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5989 -1.9197 1.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3368 0.1435 0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2659 -0.3381 1.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0861 1.1876 0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8420 0.4223 1.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3893 1.9474 2.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8890 2.5817 2.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5784 4.1916 2.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8679 3.9486 0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7004 3.0681 1.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8775 1.8014 -0.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5755 3.3051 -1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2164 2.2047 -0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5917 5.3455 1.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4056 4.7475 0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6853 5.3673 -0.0783 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 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 2 0 16 17 1 0 17 18 1 0 17 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 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 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 52 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 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 6 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 1 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 25 86 1 0 25 87 1 0 26 88 1 1 27 89 1 0 27 90 1 0 31 91 1 0 32 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 53126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 54131 1 0 M END