HMDB0112099 RDKit 3D 5-Hexyl-2-furanoctanoic acid 51 51 0 0 0 0 0 0 0 0999 V2000 6.7201 2.1011 1.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9562 0.8351 0.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4842 1.0874 0.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7047 -0.1418 0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9918 -0.5342 -0.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2374 -1.7535 -1.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7769 -1.5543 -1.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8083 -2.4847 -1.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4145 -1.8855 -1.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1648 -0.6218 -0.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1926 0.3976 -0.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6164 0.3666 0.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2117 -0.8510 1.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4044 -1.5203 0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7649 -1.0380 0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3637 0.0417 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8129 1.4032 0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6287 2.4275 -0.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2747 3.6018 -0.4058 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7172 1.9785 -1.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1514 -0.4847 -0.9043 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0470 2.6487 1.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9315 2.6958 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6720 1.8507 1.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2855 0.6118 -0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2617 -0.0339 1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2291 1.4252 1.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1695 1.9084 0.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -0.9946 1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6322 0.1140 0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7028 0.3363 -1.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0658 -0.6914 -1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4608 -2.6374 -0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5374 -2.0506 -2.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0356 -3.4770 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3726 -2.3759 -1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 0.2942 -1.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 1.3979 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0584 1.3432 1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5914 0.4474 1.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -0.6752 2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3575 -1.6345 1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4377 -2.5064 1.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2584 -2.0344 -0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4158 -1.9992 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0966 -0.9260 1.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4740 0.1326 0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5003 -0.2012 -0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8425 1.4040 -0.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5387 1.7182 1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2693 2.5386 -1.7942 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 1 0 7 8 2 0 8 9 1 0 9 10 2 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 2 0 18 20 1 0 10 21 1 0 21 7 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 8 35 1 0 9 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 20 51 1 0 M END