HMDB0247909
     RDKit          3D
Acetoacetaldehyde
 12 11  0  0  0  0  0  0  0  0999 V2000
    1.8228   -0.0775   -0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3926   -0.3681    0.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0982   -1.3468    0.8637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    0.4978   -0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9770   -0.0877    0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5110   -1.0106   -0.3736 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9993    1.0036   -0.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136   -0.6095   -0.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4152   -0.4416    0.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6771    0.5900   -1.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6233    1.5330    0.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4407    0.3175    1.0681 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
  1  7  1  0
  1  8  1  0
  1  9  1  0
  4 10  1  0
  4 11  1  0
  5 12  1  0
M  END