HMDB0298356 RDKit 3D DG(i-12:0/0:0/20:4(5Z,7E,11Z,14Z)-OH(9)) 101100 0 0 0 0 0 0 0 0999 V2000 -15.1009 1.3722 -0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3361 0.1248 -0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0863 -0.0325 0.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3412 -0.0754 1.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0036 -0.2365 2.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3133 -1.4668 2.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1465 -1.5590 1.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3555 -0.3371 1.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1477 -0.3672 -0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9390 -0.4065 -0.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6835 -0.4255 0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8722 -1.6923 -0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6434 -2.8199 0.1724 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4864 -1.7939 -1.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3348 -1.3735 -2.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3366 -0.7609 -1.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1831 -0.3503 -1.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1053 0.2808 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8415 1.6683 -1.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4389 1.6315 -2.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7987 0.8558 -3.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.6494 -4.4138 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6186 0.3289 -2.2414 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8021 -0.4157 -2.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4386 -0.8042 -1.2370 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5129 -1.5634 -0.5253 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7908 0.4044 -0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3461 0.0257 0.7911 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5244 -0.7202 0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0921 -1.0516 -0.1152 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0105 -1.0600 2.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2784 -1.8381 2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4420 -1.1135 1.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7823 0.1503 2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9810 0.8256 1.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7080 1.1785 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7467 1.9038 -0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0497 1.3153 -0.8682 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9812 0.8942 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2952 0.3615 -0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2747 1.9197 1.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4838 2.2425 0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6659 1.6522 -1.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8691 1.1375 0.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0772 0.1108 -1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0330 -0.7464 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6299 -1.0098 0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3741 0.7525 0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0092 -0.9337 2.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8267 0.8177 2.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3334 -0.4244 3.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4258 0.6775 2.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8248 -2.4362 2.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7453 -2.5518 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9304 0.6119 1.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4573 -0.2442 1.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9939 -0.3573 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8377 -0.4272 -1.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7101 -0.3067 1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0559 0.4204 -0.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9983 -1.7195 0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7993 -2.7094 1.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1885 -2.2452 -2.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1043 -1.4771 -3.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4687 -0.6110 -0.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0328 -0.4895 -2.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1992 -0.3439 -0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4237 0.4377 0.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0345 2.1025 -0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7389 2.3008 -1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 2.6923 -3.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2661 1.3074 -3.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4617 -1.3598 -3.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4682 0.1746 -3.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2873 -1.4799 -1.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4362 -1.2319 0.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8315 0.9341 -0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4331 1.1182 -0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2387 -1.7398 2.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0939 -0.1387 2.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0931 -2.7416 1.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5543 -2.2387 3.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2681 -0.9897 0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3336 -1.7983 1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1050 -0.0362 3.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9604 0.9005 2.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8093 0.1399 1.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2458 1.7578 2.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7335 1.7735 0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3796 0.2477 -0.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2700 2.1378 -1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8628 2.9727 -0.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5771 2.0679 -1.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8853 0.4121 -1.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6072 -0.0383 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1154 -0.6208 -0.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6395 1.0592 -1.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0680 0.2599 0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1331 1.5034 2.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5815 2.8029 1.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3354 2.2946 1.1888 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 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 10 58 1 0 11 59 1 0 11 60 1 0 12 61 1 0 13 62 1 0 14 63 1 0 15 64 1 0 16 65 1 0 17 66 1 0 18 67 1 0 18 68 1 0 19 69 1 0 19 70 1 0 20 71 1 0 20 72 1 0 24 73 1 0 24 74 1 0 25 75 1 6 26 76 1 0 27 77 1 0 27 78 1 0 31 79 1 0 31 80 1 0 32 81 1 0 32 82 1 0 33 83 1 0 33 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 0 36 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 40 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 41101 1 0 M END