HMDB0004181 RDKit 3D Methylimidazole acetaldehyde 17 17 0 0 0 0 0 0 0 0999 V2000 -2.8273 0.1646 -0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4412 -0.1804 0.1990 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9563 -0.7706 1.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3833 -0.9032 1.1811 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7701 -0.3860 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1578 -0.3204 -0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8502 0.8765 0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0647 0.8999 1.2131 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3854 0.0554 -0.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8436 1.1456 -0.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3271 -0.5936 -0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3614 0.2282 0.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5877 -1.0821 2.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7157 -1.2525 -0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 -0.1389 -1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1682 1.7230 -0.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 0.5344 -1.5834 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 5 9 2 0 9 2 1 0 1 10 1 0 1 11 1 0 1 12 1 0 3 13 1 0 6 14 1 0 6 15 1 0 7 16 1 0 9 17 1 0 M END