HMDB0039844
     RDKit          3D
(E,E)-2,6-Octadienal
 21 20  0  0  0  0  0  0  0  0999 V2000
    3.3706    1.0518    0.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5123    0.0622   -0.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.2153   -0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3588   -0.7948   -1.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7023   -1.3618   -0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5511   -0.2159    0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8460   -0.2199   -0.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6761    0.8971    0.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9009    0.8496    0.0342 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4021    0.6233    0.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4522    2.0110   -0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9752    1.2844    1.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9229   -0.8587   -0.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7449    1.1031   -0.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0966   -0.2682   -2.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9436   -1.6307   -1.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2313   -1.8850    0.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3146   -2.1117   -0.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0971    0.5913    0.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2338   -1.0615   -0.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2329    1.7191    0.8619 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
  4  5  1  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
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  8 21  1  0
M  END