HMDB0112098 RDKit 3D 5-Pentyl-2-furanoctanoic acid 48 48 0 0 0 0 0 0 0 0999 V2000 8.2935 -1.0924 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8334 -0.7499 0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3968 0.4215 -0.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9463 0.7678 -0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0352 -0.3727 -0.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 0.0254 -0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2251 1.2576 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8617 1.2440 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4508 -0.0112 -0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9377 -0.5281 -0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8652 0.5830 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3362 0.0787 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1547 1.2315 0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6066 1.1774 0.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3899 0.2293 1.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1825 -1.2259 0.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4865 -1.5136 -0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6183 -1.2147 -1.0471 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5712 -2.1007 -1.4328 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5381 -0.6918 -0.6004 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3600 -2.1559 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7442 -0.4933 -0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8873 -0.9932 0.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6973 -0.5390 1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1928 -1.6227 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0244 1.3234 -0.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4722 0.1849 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8564 1.0295 0.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6534 1.6924 -0.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2264 -1.2010 0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 -0.6759 -1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9004 2.0778 0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2516 2.0830 0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 -1.4006 0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1778 -0.7901 -1.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8015 1.4291 -0.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7297 0.8310 1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5009 -0.2021 -1.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3139 -0.8014 0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7152 1.6002 1.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8546 2.0895 -0.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9683 2.2295 0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9679 1.1457 -0.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3277 0.3889 2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4987 0.3997 0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2426 -1.6721 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0222 -1.7457 1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3523 -1.7270 -2.3668 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 2 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 2 0 17 19 1 0 9 20 1 0 20 6 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 7 32 1 0 8 33 1 0 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 19 48 1 0 M END