HMDB0299423 RDKit 3D DG(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/0:0/i-17:0) 117116 0 0 0 0 0 0 0 0999 V2000 -11.2747 -1.4421 -4.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4294 -0.9891 -3.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3576 0.4867 -3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4161 1.1579 -2.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5881 1.0693 -1.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9996 -0.2050 -0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0479 -0.5100 0.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6884 0.4030 1.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5462 -0.2067 2.6129 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.9363 -1.4125 3.1486 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3521 -0.2909 1.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1539 -0.6118 2.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0272 -0.6757 1.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8119 -0.9984 1.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6605 -1.0759 0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4629 -1.3743 1.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2382 -1.6389 2.8205 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1461 -2.5367 2.9894 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1691 -0.5046 3.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1906 0.5699 3.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9597 1.4558 2.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3425 0.7944 1.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6668 1.1732 0.2045 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4347 -0.2023 1.5139 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -0.9009 0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 0.0220 -0.1427 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4431 1.0098 -0.8061 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9953 0.6905 1.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8787 1.6774 0.6744 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9906 1.4738 -0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2286 0.3256 -0.5364 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8389 2.6823 -0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4842 3.0732 0.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3451 2.1424 1.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6101 1.5940 1.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9701 0.7100 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7721 1.0629 -1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3700 0.0144 -2.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8625 -0.1574 -2.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6204 1.0951 -2.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0882 1.0101 -2.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6844 0.6592 -0.7918 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4266 -0.6123 -0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7530 -1.8474 -0.9069 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2209 -1.9045 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4394 -3.1813 -2.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0606 -2.0767 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1954 -1.2734 -5.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4217 -0.9277 -5.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0785 -2.5147 -4.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5902 -1.4768 -2.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3555 -1.4593 -3.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3951 0.8371 -3.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1347 0.8777 -4.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4570 0.9161 -1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2516 2.2794 -2.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5129 1.5143 -1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5043 1.8378 -0.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3446 -1.0284 -1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3837 -1.5271 1.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4401 1.4285 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5453 0.5330 2.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3428 0.4734 3.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2204 -2.0641 3.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4010 -0.0997 0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0554 -0.8119 3.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1410 -0.4705 0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8078 -1.2072 2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7554 -0.8851 -0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 -1.4672 0.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1260 -2.2878 3.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6524 -2.2229 3.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1566 -0.9195 4.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1911 0.0167 3.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4829 1.2658 4.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1657 0.2214 4.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2291 2.2836 2.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8605 2.0123 2.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1071 -1.6844 1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3837 -1.3900 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9734 -0.5357 -0.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4559 0.7605 -1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4315 -0.1199 1.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 1.1530 1.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3984 2.6552 -1.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0458 3.5017 -0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6116 3.3264 1.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9516 4.1188 0.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5428 2.5758 2.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7102 1.2251 1.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1357 1.1271 2.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3503 2.5165 1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4245 -0.2954 0.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0441 0.3702 0.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6604 0.9087 -1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0404 2.0362 -1.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8973 -0.9574 -2.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2319 0.4016 -3.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1818 -0.8577 -2.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0485 -0.6937 -1.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4600 1.4717 -3.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2642 1.9262 -1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4661 2.0767 -2.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5487 0.4470 -2.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8163 0.8594 -0.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3660 1.4806 -0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5197 -0.7565 0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2361 -0.6523 0.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0798 -2.0288 -1.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6039 -2.7211 -0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5734 -1.0063 -1.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4667 -4.0132 -1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3504 -3.1380 -2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5289 -3.3312 -2.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4599 -2.6384 0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3852 -1.1145 0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9549 -2.6957 -0.2043 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 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 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 26 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 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 1 10 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 16 70 1 0 17 71 1 1 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 25 79 1 0 25 80 1 0 26 81 1 6 27 82 1 0 28 83 1 0 28 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 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 46112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 47117 1 0 M END