HMDB0010719
     RDKit          3D
trans-Hex-2-enoic acid
 18 17  0  0  0  0  0  0  0  0999 V2000
   -2.0941   -0.5665    0.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7312    0.8722    0.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5423    1.0512   -0.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6739    0.3938   -0.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3301   -0.5559   -0.8193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5072   -1.1241   -0.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1519   -2.0410   -0.7438 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9394   -0.6859    1.0603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3506   -1.0868   -0.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0559   -0.5656    0.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3533   -1.1270    0.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4906    1.3164    1.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5957    1.3768   -0.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3122    2.1429   -0.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7492    0.7352   -1.8019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0154    0.7316    0.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0024   -0.9042   -1.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6547    0.0367    1.1929 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  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  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
  5 17  1  0
  8 18  1  0
M  END