HMDB0299273 RDKit 3D DG(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/i-16:0/0:0) 111110 0 0 0 0 0 0 0 0999 V2000 15.7285 2.9504 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4837 1.7169 -0.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8198 0.4764 0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9624 -0.4847 0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5399 -0.4312 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6837 -0.4987 1.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8449 0.4521 1.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6005 1.6886 0.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3338 2.0663 0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1984 1.4264 0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0092 0.0556 0.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9802 0.0987 1.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9290 -0.6798 1.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6828 -1.6068 0.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5545 -2.3420 0.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2430 -3.3178 -0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2426 -4.5799 0.3059 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9065 -3.1229 -0.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6231 -1.8381 -1.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5286 -0.6073 -0.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3441 -0.7729 0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4718 -1.0931 1.3082 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -0.5650 -0.3749 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0415 -0.7235 0.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -0.4584 -0.3609 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1581 0.9793 -0.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 1.8015 0.2775 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 -0.5935 0.3327 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -1.4273 -0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1741 -2.0178 -1.3405 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7551 -1.6079 0.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8308 -1.2228 -0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5341 0.1804 -0.9803 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1995 0.9547 -2.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5932 1.2886 -2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7098 0.4009 -2.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1047 -0.6912 -1.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4409 -0.3056 -0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5926 0.6822 -0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9440 1.0685 1.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0859 2.0590 1.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2967 1.4814 0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8445 0.2659 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2394 0.6409 2.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0437 -0.2201 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7200 3.3094 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3115 2.6554 1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2709 3.7382 -0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2470 1.8142 -1.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5133 1.7734 -1.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8759 0.3537 0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3405 -1.3696 0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2882 0.3018 -0.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3599 -1.4493 -0.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7640 -1.4047 1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3021 0.2499 2.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3801 1.7775 -0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9926 2.5474 1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3294 3.0943 -0.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3255 1.8979 -0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8650 -0.5494 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 -0.4999 -0.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0938 0.7792 2.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2112 -0.5652 2.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3018 -1.7949 -0.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8997 -2.1985 1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0431 -3.3393 -1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6725 -5.1895 -0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1513 -3.3699 -0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7793 -3.9970 -1.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2979 -1.6661 -2.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6096 -1.9652 -2.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4072 -0.2476 -0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1904 0.2181 -1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1447 -1.7539 0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0617 0.0309 1.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2363 -1.0861 -1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9281 1.2439 -1.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1166 1.1087 -1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6576 2.6499 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9206 -2.6330 0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8193 -0.9099 1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7648 -1.3919 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6858 -1.8706 -1.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5865 0.7967 0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3819 0.2162 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7846 0.6297 -3.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6408 1.9952 -1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8371 1.9725 -1.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6521 2.1190 -2.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4636 -0.1181 -3.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6314 1.0078 -2.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4660 -1.5539 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1124 -1.0884 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5648 0.0705 0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7798 -1.2224 0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4702 0.2119 -0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3680 1.6113 -0.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1979 0.2078 2.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0832 1.6244 1.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3622 2.4887 2.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7060 2.8850 0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1030 2.2696 0.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1433 1.3611 -0.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1239 -0.5737 1.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3752 1.7312 2.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1989 0.1170 2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4265 0.3208 3.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3370 -1.2609 0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8156 -0.1329 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8698 0.4948 0.6877 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 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 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 26 27 1 0 25 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 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 0 10 60 1 0 11 61 1 0 11 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 15 66 1 0 16 67 1 0 17 68 1 0 18 69 1 0 18 70 1 0 19 71 1 0 19 72 1 0 20 73 1 0 20 74 1 0 24 75 1 0 24 76 1 0 25 77 1 6 26 78 1 0 26 79 1 0 27 80 1 0 31 81 1 0 31 82 1 0 32 83 1 0 32 84 1 0 33 85 1 0 33 86 1 0 34 87 1 0 34 88 1 0 35 89 1 0 35 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 44106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 45111 1 0 M END