HMDB0300395 RDKit 3D DG(20:4(5Z,8Z,11Z,14Z)-OH(20)/i-22:0/0:0) 131130 0 0 0 0 0 0 0 0999 V2000 -11.9807 -1.2699 -2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6359 -0.9292 -1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0629 -1.3547 -1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8472 -1.6351 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4012 -1.3699 1.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5335 -2.0376 2.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1465 -1.5231 2.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9372 -0.1896 3.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5044 1.0404 2.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2900 1.5301 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9502 1.8685 0.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9811 0.7579 0.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6421 1.2183 0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1049 2.3955 0.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6969 2.2486 2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4754 1.6427 2.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9290 0.3520 2.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2784 0.3288 0.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0511 1.2482 0.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 0.8877 1.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3704 -0.4630 1.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 -0.7083 0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 -1.7970 0.0658 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2836 0.2731 -0.6022 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7894 0.2989 -1.8837 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3185 0.4175 -2.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1771 0.4447 -4.2039 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8211 1.4158 -2.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 1.2816 -1.4085 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7695 1.1256 -0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3029 0.9965 0.7158 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2671 1.0792 -0.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6945 -0.2733 -1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2046 -0.3179 -1.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5838 0.7048 -2.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0772 0.4952 -3.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3766 -0.7576 -4.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1070 -2.0356 -3.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0524 -2.9141 -3.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4799 -2.7426 -3.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3728 -2.8570 -2.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1571 -1.9332 -2.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3143 -0.5989 -2.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0266 0.5716 -1.7346 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5789 0.6485 -0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2429 -0.4715 0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0787 -0.5493 1.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9165 0.6646 2.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5266 0.9288 2.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9885 -0.1810 3.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6960 0.1782 4.1948 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7692 -1.2646 -3.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5678 -2.2890 -2.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2139 -0.5227 -2.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5857 0.1879 -0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6731 -1.0076 -0.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1199 -2.4514 -1.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4565 -0.8515 -2.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7875 -1.3725 -0.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0081 -2.7429 -0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3929 -1.9055 1.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6175 -0.3312 1.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0427 -1.9504 3.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4959 -3.1349 2.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5917 -1.6282 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5966 -2.2599 3.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8651 -0.0264 3.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4301 -0.2983 4.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6161 1.1758 2.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0644 1.8780 3.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8863 2.5317 1.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7878 0.8707 0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5584 2.7853 1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0874 2.2137 -0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6705 0.4707 1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3563 -0.0852 0.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0147 0.3319 0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8215 1.4428 -1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1716 2.7146 0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7560 3.3082 0.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7162 3.3369 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6022 1.7775 2.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6591 2.4655 2.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5395 1.6457 3.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 -0.0760 2.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7286 -0.4687 2.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 0.6836 0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9028 -0.6975 0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7022 1.2522 -0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3942 2.2681 1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3532 1.0652 2.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1651 1.6414 1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4019 -0.5671 2.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0941 -1.2912 1.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -0.7020 -2.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0048 1.2506 -2.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9171 -0.5438 -2.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6612 -0.3817 -4.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2491 2.4061 -1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0514 1.3475 -3.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 1.3104 0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5406 1.9003 -1.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4877 -1.0184 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1254 -0.5245 -2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6068 0.0946 -0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5861 -1.3012 -1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4173 1.7864 -2.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2897 1.4662 -4.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6841 -0.7285 -5.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3840 -0.7539 -4.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -2.3214 -3.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7360 -3.8633 -2.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7350 -3.7074 -4.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7700 -1.9697 -4.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3715 -3.8346 -1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8031 -2.1955 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6537 -0.5176 -3.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3465 -0.5045 -3.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2179 1.5852 -2.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4335 1.6981 -0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2087 -0.1338 0.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -1.4178 -0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7259 -1.4653 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1522 -0.7326 1.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2017 1.5417 1.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6436 0.6450 3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6395 1.8176 3.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8338 1.2715 2.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8756 -1.1432 3.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6442 -0.2440 4.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6821 0.6147 5.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 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 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 25 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 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 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 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 3 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 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 6 26 96 1 0 26 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 M END