HMDB0061945
     RDKit          3D
2-Ethyl-2-hexenal
 23 22  0  0  0  0  0  0  0  0999 V2000
   -3.1881    0.9117   -0.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1335   -0.0108    0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0075   -0.2331   -0.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0218   -1.1480   -0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2374   -0.8533   -0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0882   -1.8666    0.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6220   -2.9639    0.9183 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8041    0.4456   -0.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3772    1.2154    0.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1622    0.5989    0.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0192    1.9454    0.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3387    0.8024   -1.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7296    0.3640    1.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5898   -1.0155    0.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6432    0.7584   -1.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5016   -0.6721   -1.7033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3978   -2.1543    0.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1275   -1.6666    0.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7363    0.1851   -1.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133    1.0595   -1.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7986    1.0333    1.6387 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4271    0.9649    0.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3013    2.2997    0.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  6 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
  9 23  1  0
M  END