HMDB0029563 RDKit 3D 3-Acetyl-2,5-dimethylfuran 20 20 0 0 0 0 0 0 0 0999 V2000 -2.1438 -1.8451 0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8621 -0.4385 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8059 0.3599 -0.1127 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4928 0.0164 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6227 -0.7631 0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7357 0.0294 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1301 -0.4590 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2929 1.2197 -0.3115 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 1.2665 -0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8392 2.4648 -0.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6579 -2.5442 -0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2394 -2.0028 0.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6894 -2.0959 1.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6127 -1.8174 0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 0.4018 0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1628 -1.2004 0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4802 -0.9803 -0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2434 3.3728 -0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 2.4890 -0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0887 2.5266 -1.7144 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 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 9 4 2 0 1 11 1 0 1 12 1 0 1 13 1 0 5 14 1 0 7 15 1 0 7 16 1 0 7 17 1 0 10 18 1 0 10 19 1 0 10 20 1 0 M END