HMDB0030961
     RDKit          3D
2-Octenal
 23 22  0  0  0  0  0  0  0  0999 V2000
   -3.2077   -0.5934    0.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9607    0.2444    0.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2076    0.5413   -0.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0197    1.3692   -0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0045    0.6714    0.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3949   -0.5916   -0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6343   -0.8622   -0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7184    0.0412   -0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8886   -0.3030   -0.4781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8951   -1.6062    0.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7270   -0.1515   -0.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8116   -0.5819    1.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3186   -0.3906    1.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3036    1.1723    1.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9300    1.0864   -1.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9421   -0.3754   -1.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310    2.3846   -0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5048    1.5420   -1.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8106    1.3497    0.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4902    0.4471    1.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6113   -1.3484   -0.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8327   -1.8542   -0.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6249    0.9995    0.2967 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  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
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
M  END