HMDB0031500
     RDKit          3D
Methyl 2E-hexenoate
 21 20  0  0  0  0  0  0  0  0999 V2000
   -2.6756    1.2683   -0.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6346   -0.2218   -0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6656   -0.7123    0.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2699   -0.2893    0.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773   -1.1923    0.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0601   -0.8641   -0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8842   -1.7981   -0.2157 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5319    0.4310   -0.1694 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8801    0.7497   -0.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6728    1.5300   -0.9601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7053    1.7722    0.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8910    1.6922   -1.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3461   -0.6452   -1.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6356   -0.5853   -0.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7202   -1.8221    0.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051   -0.3990    1.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0105    0.7392    0.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3802   -2.2256    0.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0554    1.1215   -1.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1723    1.5549    0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5701   -0.1038   -0.2342 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
  8  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
  5 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END