HMDB0031686
     RDKit          3D
(E,E)-2,4-Octadienal
 21 20  0  0  0  0  0  0  0  0999 V2000
    3.4267   -0.5447   -1.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9091   -0.4100   -0.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3030    0.4278    0.8065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7504    0.1206    0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1028    0.3755    0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4712    0.2873    0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7065    0.8063    1.2973 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7284   -1.4082   -0.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.3522   -0.6184 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6938   -0.6460   -2.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5333    0.1590   -1.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5230   -1.4490   -0.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2509    1.1655    0.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1469   -0.4760    1.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0983    0.8780    1.7685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5453   -0.3305   -0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2642    0.8250    1.4982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9264   -0.4129   -1.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3003    0.0186   -0.4483 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
  7  8  1  0
  8  9  2  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
  5 18  1  0
  6 19  1  0
  7 20  1  0
  8 21  1  0
M  END