HMDB0112086 RDKit 3D 3-Methyl-5-pentyl-2-furanpentanoic acid 42 42 0 0 0 0 0 0 0 0999 V2000 6.8456 0.1369 -0.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3702 0.4702 -0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6944 -0.0850 0.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2146 0.1806 0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4979 -0.4280 -0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0466 -0.1077 -0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4121 1.0016 -0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9564 0.9334 -0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9609 1.9698 -0.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0693 -0.2324 0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2529 -0.8613 1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0797 -1.6815 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7655 -1.0032 -0.9895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8197 -0.0140 -0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9590 -0.6287 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9726 -1.8584 0.2953 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0072 0.1332 0.5756 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -0.8138 0.5279 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0275 -0.8310 0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3894 0.9391 0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3269 0.1303 -1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2835 1.5545 -0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9954 -0.0612 -1.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1441 0.4318 1.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 -1.1530 1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8217 -0.2216 1.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0615 1.2775 1.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8825 -0.0689 -1.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6457 -1.5352 -0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8442 1.8180 -1.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 1.7333 -1.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5645 2.2549 0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4294 2.9404 -0.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8941 -0.0671 1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9519 -1.5401 1.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7867 -2.2762 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4097 -2.5076 -0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2986 -1.8118 -1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9753 -0.5671 -1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4204 0.8331 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2480 0.4781 -1.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0812 1.1380 0.4584 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 8 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 2 0 15 17 1 0 10 18 1 0 18 6 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 7 30 1 0 9 31 1 0 9 32 1 0 9 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 17 42 1 0 M END