HMDB0031512
     RDKit          3D
Tiglic aldehyde
 14 13  0  0  0  0  0  0  0  0999 V2000
   -1.9136   -0.1797    0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5531   -0.7336    0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4985    0.0627   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8620   -0.5572    0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3064    1.4619   -0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2830    2.2192   -0.4713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1354    0.5567    0.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6553   -1.0218    0.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1048    0.2971   -0.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3851   -1.7629    0.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0613   -1.1215   -0.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8147   -1.3017    0.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004    0.2113    0.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6790    1.8693   -0.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  4 11  1  0
  4 12  1  0
  4 13  1  0
  5 14  1  0
M  END