HMDB0112087 RDKit 3D 5-Heptyl-3-methyl-2-furanpentanoic acid 48 48 0 0 0 0 0 0 0 0999 V2000 -5.3118 3.1387 0.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6276 1.6905 1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6128 0.8970 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9032 -0.5784 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9556 -1.4339 -0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5338 -1.1941 0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6371 -2.0923 -0.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 -1.9333 -0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4602 -2.6678 0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7719 -2.1673 0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -2.6484 1.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8132 -1.1903 -0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -0.3433 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1739 -0.4018 -0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2398 0.5305 -0.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8391 1.9723 -0.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9400 2.8205 -1.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9779 2.2623 -1.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 4.1936 -1.3209 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5957 -1.0793 -0.9613 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9721 3.5333 0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2745 3.2942 0.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5288 3.7216 1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6381 1.4831 0.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5730 1.3881 2.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6244 1.1856 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6897 1.1337 -0.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8207 -0.8574 1.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -0.7489 0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2508 -2.5002 -0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0306 -1.2770 -1.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2905 -0.1467 -0.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4411 -1.4297 1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7446 -1.8563 -1.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9483 -3.1650 -0.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1056 -3.4634 1.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4336 -3.3942 2.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5819 -3.3128 0.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3554 -1.9146 2.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1564 -0.6425 -1.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5929 0.7365 -0.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 0.0700 0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6512 -1.3770 -0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5408 0.1837 -1.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1788 0.4515 -0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6422 2.3664 0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9830 2.1084 -1.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9421 4.6544 -1.3879 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 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 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 12 20 1 0 20 8 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 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 9 36 1 0 11 37 1 0 11 38 1 0 11 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