HMDB0297658 RDKit 3D DG(18:3(10,12,15)-OH(9)/0:0/a-15:0) 106105 0 0 0 0 0 0 0 0999 V2000 16.1730 -0.8435 1.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4993 0.5213 1.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5915 0.7048 0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7933 1.7092 -0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9103 1.9384 -1.9787 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8841 0.8814 -2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5732 1.1707 -1.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5952 0.0919 -1.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3080 0.3369 -1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3975 -0.8520 -1.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1277 -2.0299 -1.8318 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3517 -0.7841 -0.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4706 0.4264 -1.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4213 0.4994 0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5446 -0.7225 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7941 -0.9864 -1.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8245 0.0666 -1.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7437 0.2628 -0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0683 -1.0262 -0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4943 -1.9005 0.4315 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -1.3575 -1.1243 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -2.6440 -0.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8552 -2.7936 -1.7765 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3950 -4.0801 -1.5341 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8955 -1.7919 -1.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0146 -2.0764 0.1389 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9128 -1.3433 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5692 -0.4670 0.3595 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9599 -1.7038 2.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0425 -0.9425 3.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3974 -1.2661 2.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4450 -0.4809 3.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2156 0.9867 3.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2779 1.8108 3.8268 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6590 1.4894 3.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6810 1.7924 1.8261 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0493 1.4856 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9390 1.8194 -0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1882 1.5778 -1.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8791 1.9737 -2.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4731 0.0789 -1.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7313 -0.2615 -1.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9049 -1.4657 2.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2875 -0.7408 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8884 -1.3688 0.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2984 1.2827 1.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8885 0.5539 2.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7722 0.0242 -0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6108 2.4064 -0.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3926 2.9187 -1.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5281 1.8733 -2.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1421 -0.1777 -2.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2658 2.1967 -1.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9494 -0.9493 -2.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9057 1.3357 -1.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9418 -0.8361 -2.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7394 -2.7666 -2.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7516 -1.7304 -0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9069 -0.7599 0.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0652 0.5098 -2.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1221 1.3289 -0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8814 1.4400 -0.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9597 0.5254 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8269 -0.5801 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1564 -1.5957 0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5003 -1.1664 -2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2517 -1.9451 -1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3095 1.0267 -1.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3006 -0.2853 -2.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0558 1.0447 -0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1821 0.5985 0.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9338 -2.6629 0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0636 -3.4592 -1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6679 -2.6497 -2.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 -4.0267 -0.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 -0.7586 -1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8682 -2.0161 -1.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1925 -2.7986 2.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9873 -1.5262 2.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0291 -1.2022 4.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8456 0.1392 2.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4702 -0.9169 1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6178 -2.3625 2.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4313 -0.8042 2.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4578 -0.7611 4.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2534 1.3027 3.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1009 1.2218 2.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0611 2.8731 3.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1941 1.5837 4.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9254 0.4453 3.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3662 2.1281 3.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9917 1.0707 1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4696 2.8359 1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3689 0.4671 1.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7749 2.2370 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1334 1.1481 -0.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5849 2.8686 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0673 2.0972 -0.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5543 3.0340 -2.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7526 1.8037 -3.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9884 1.3651 -2.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6904 -0.2083 0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6467 -0.4977 -1.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6166 0.2707 -1.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5498 -0.0867 -2.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9069 -1.3390 -1.6481 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 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 39 41 1 0 41 42 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 4 49 1 0 5 50 1 0 5 51 1 0 6 52 1 0 7 53 1 0 8 54 1 0 9 55 1 0 10 56 1 0 11 57 1 0 12 58 1 0 12 59 1 0 13 60 1 0 13 61 1 0 14 62 1 0 14 63 1 0 15 64 1 0 15 65 1 0 16 66 1 0 16 67 1 0 17 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 22 72 1 0 22 73 1 0 23 74 1 6 24 75 1 0 25 76 1 0 25 77 1 0 29 78 1 0 29 79 1 0 30 80 1 0 30 81 1 0 31 82 1 0 31 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 40 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 42106 1 0 M END