HMDB0031497
     RDKit          3D
3-Hexenal
 17 16  0  0  0  0  0  0  0  0999 V2000
    2.4828    0.8688    0.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7742   -0.3355   -0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4113   -0.5101    0.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6842   -0.4974   -0.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0507   -0.6668    0.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8818    0.5225   -0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5141    1.6248    0.2597 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9045    1.3688    1.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7996    1.5897   -0.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4529    0.5269    0.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356   -1.2965    0.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6441   -0.2155   -1.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3201   -0.6522    1.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5640   -0.3458   -1.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5428   -1.5900   -0.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0426   -0.8123    1.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8449    0.4205   -0.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  2  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  0
  4 14  1  0
  5 15  1  0
  5 16  1  0
  6 17  1  0
M  END