HMDB0267499 RDKit 3D PA(i-13:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 112111 0 0 0 0 0 0 0 0999 V2000 10.8951 -3.3312 0.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9937 -2.2727 0.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0977 -2.6024 0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6037 -1.8753 -0.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0841 -0.5489 -1.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5179 -0.4582 -2.5555 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1185 0.8753 -2.6923 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2600 -1.2714 -2.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3265 -0.9169 -1.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0769 -1.6219 -1.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1728 -1.2771 -0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4458 -0.2593 0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6861 0.6522 0.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2296 1.4397 2.0656 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7867 1.2777 3.3234 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6766 1.5188 2.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0661 2.0521 1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0393 1.5659 0.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3612 0.2941 0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3025 -0.7002 -0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2031 -1.2275 -0.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8185 -0.9661 -0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3628 -0.0286 0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1022 0.1629 0.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5462 0.1901 1.9261 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9805 0.3178 -0.2878 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3826 0.5513 0.0886 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2699 -0.4862 -0.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5678 -0.4717 -0.1698 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 0.0639 -0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8023 0.9452 -1.3418 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9883 -0.2327 0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3252 0.8652 1.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6800 2.1819 0.7673 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9156 2.1529 -0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1165 1.6226 0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2930 1.6237 -0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5400 1.1217 0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4186 -0.3134 0.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1095 -1.2201 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0159 -2.6412 0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9417 -2.8524 1.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5577 -3.4582 -1.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7034 1.9606 -0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9247 2.3895 0.1171 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1303 4.0484 -0.2025 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.0407 4.7000 0.8411 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6519 4.8694 -0.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8009 4.2772 -1.6976 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9947 -3.4222 -0.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9190 -2.8898 0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1497 -4.2899 1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2703 -2.4997 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6000 -1.2597 1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5624 -3.6069 0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4589 -2.2434 -1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4927 -0.0801 -0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0066 0.1322 -1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2417 -0.7335 -3.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7704 1.4484 -3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0833 -2.0475 -3.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5675 -0.0914 -1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8491 -2.4590 -2.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2878 -1.8911 -0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1664 -0.4422 0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8278 1.0113 0.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4323 2.5662 1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6600 1.7360 3.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4409 0.4835 2.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4496 2.2196 3.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4842 3.0144 0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6553 2.0816 -0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1091 -0.1308 1.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5297 0.5082 1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2630 -1.0581 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4425 -1.9950 -1.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3866 -1.9920 -0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 -0.8148 -1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7059 -0.3891 1.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7395 1.0372 0.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4343 0.5023 1.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1401 -0.4299 -1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7507 -1.4758 -0.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7879 -1.1380 0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8043 -0.4364 -0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0523 0.4979 2.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3507 1.0422 1.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8960 2.6711 0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8894 2.8888 1.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1620 3.1359 -0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8175 1.5047 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8995 0.6422 1.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2529 2.3374 1.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3809 2.6900 -0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9702 1.0197 -1.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8745 1.6764 1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3873 1.2118 -0.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7075 -0.3911 1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4059 -0.6268 1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1488 -1.0040 -0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9505 -1.0973 -1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9603 -3.0577 0.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1198 -2.1460 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3329 -2.8316 2.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4768 -3.8774 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5626 -4.5087 -0.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5600 -3.1501 -1.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3060 -3.2583 -1.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8856 2.6753 0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7017 2.0494 -1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1599 4.8591 -0.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2172 3.4355 -1.9820 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 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 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 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 41 43 1 0 27 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 6 7 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 12 65 1 0 13 66 1 0 14 67 1 6 15 68 1 0 16 69 1 0 16 70 1 0 17 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 21 76 1 0 22 77 1 0 22 78 1 0 23 79 1 0 23 80 1 0 27 81 1 1 28 82 1 0 28 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 42103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 48111 1 0 49112 1 0 M END