HMDB0031501
     RDKit          3D
3-Hexenoic acid
 18 17  0  0  0  0  0  0  0  0999 V2000
   -2.7117   -0.6763   -0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3652   -0.4266   -0.9113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8562    0.8533   -0.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2735    0.9882    0.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2309   -0.0675    0.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5615    0.2294   -0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6725    1.2719   -0.7890 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414   -0.6215    0.0628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9678    0.1386    0.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5434   -0.6999   -0.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6408   -1.6033    0.3592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6977   -1.2769   -0.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5641   -0.4197   -2.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4640    1.7684   -0.5823 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5305    2.0235    0.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9616   -1.0674    0.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4754   -0.0913    1.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4635   -0.3230    0.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  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
  4 15  1  0
  5 16  1  0
  5 17  1  0
  8 18  1  0
M  END