HMDB0035226 RDKit 3D 2-Acetyl-5-methylfuran 17 17 0 0 0 0 0 0 0 0999 V2000 3.0470 0.2927 -0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7604 1.0161 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7928 2.2416 -0.5075 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4705 0.3466 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3269 -0.9937 0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0304 -1.2225 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6588 -0.0085 0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1391 0.1637 0.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7237 0.8481 -0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4937 0.1979 -1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9656 -0.7115 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7472 0.9611 0.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0648 -1.7578 0.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5344 -2.1674 0.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3828 1.2163 -0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5433 0.0647 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6564 -0.4874 -0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 4 1 0 1 10 1 0 1 11 1 0 1 12 1 0 5 13 1 0 6 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 M END