HMDB0038176 RDKit 3D alpha-Methyl-2-furanacrolein 18 18 0 0 0 0 0 0 0 0999 V2000 -1.5279 -0.9838 -0.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5751 0.0936 0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8819 0.5505 0.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9495 0.0338 0.2061 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4747 0.6222 0.7504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8459 0.1838 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8659 1.0869 0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0024 0.3859 -0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6196 -0.9525 -0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3524 -1.0069 0.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5499 -1.3550 -1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0226 -0.6020 -1.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1546 -1.8321 -0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9938 1.3004 1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6238 1.4141 1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8328 2.1776 0.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9861 0.7033 -0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2485 -1.8197 -0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 2 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 6 1 0 1 11 1 0 1 12 1 0 1 13 1 0 3 14 1 0 5 15 1 0 7 16 1 0 8 17 1 0 9 18 1 0 M END