HMDB0059649 RDKit 3D 3-Acetamidobutanal 20 19 0 0 0 0 0 0 0 0999 V2000 -3.0060 -0.3631 -0.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6006 0.0018 0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 0.4444 1.3345 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7454 -0.1083 -0.8660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6492 0.1925 -0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8574 1.4479 -0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4108 -0.9846 -0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8533 -0.7332 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3649 0.3218 -0.4444 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3564 -1.2407 0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6932 0.4768 0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1542 -0.6273 -1.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7484 -0.0335 2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0169 0.3825 -1.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5603 2.1581 -0.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0992 2.0033 0.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2308 1.2641 1.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9918 -1.2246 0.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2478 -1.8866 -0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -1.4914 0.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 1 10 1 0 1 11 1 0 1 12 1 0 3 13 1 0 5 14 1 0 6 15 1 0 6 16 1 0 6 17 1 0 7 18 1 0 7 19 1 0 8 20 1 0 M END