HMDB0031484
     RDKit          3D
2-Heptenoic acid
 21 20  0  0  0  0  0  0  0  0999 V2000
   -1.7175    1.1280   -0.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1447   -0.2758   -0.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1396   -1.3409   -0.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0488   -1.3737    0.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8986   -0.1863    0.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1764   -0.2521   -0.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9353    0.9832   -0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1463    0.9050   -0.5302 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    2.1997    0.1901 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5860    1.6653   -0.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6068    1.6989    0.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8935    1.2719   -1.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9710   -0.5073   -1.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6780   -0.3324    0.7224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6924   -2.3251   -0.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8454   -1.3872   -1.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1975   -1.6107    1.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7025   -2.2560    0.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5437    0.7974    0.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5976   -1.2067   -0.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0494    2.4048    1.1266 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
  7  9  1  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
  6 20  1  0
  9 21  1  0
M  END