HMDB0006478
     RDKit          3D
Isovaleraldehyde
 16 15  0  0  0  0  0  0  0  0999 V2000
   -0.7176    1.2283    0.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4432   -0.2297    0.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0983   -0.6853   -0.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0130   -0.5810    0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.0929   -0.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9610   -0.1480   -0.6927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8178    1.3500    0.7525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2995    1.6350    1.6222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4113    1.8356   -0.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9053   -0.7776    1.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5626   -1.6975   -0.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9459   -0.0181   -1.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4282   -0.7453   -1.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5196   -0.3667    1.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0881   -1.6752    0.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2815    0.7825   -1.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  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
  2 10  1  0
  3 11  1  0
  3 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
M  END