HMDB0033827
     RDKit          3D
(2E)-2-Heptenal
 20 19  0  0  0  0  0  0  0  0999 V2000
   -2.4745    0.6616   -0.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7015    0.0446    0.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8789   -1.1415    0.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1391   -0.8127   -0.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1114    0.2134   -0.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4171   -0.0477   -0.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3975    0.9198    0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1162    2.0911    0.4052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8176    1.1687   -1.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0803   -0.0768   -1.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2232    1.3626   -0.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0732    0.7978    1.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4485   -0.3333    1.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4891   -1.9815   -0.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3317   -1.4930    1.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3230   -0.4368   -1.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6983   -1.7439   -1.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8186    1.2101   -0.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7027   -1.0439   -0.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4405    0.6415    0.0660 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  2  0
  6  7  1  0
  7  8  2  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
M  END