HMDB0040297
     RDKit          3D
Ethyl pentanoate
 23 22  0  0  0  0  0  0  0  0999 V2000
   -3.6678   -0.2718    0.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6906    0.0709   -0.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2628   -0.1669    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4043    0.2358   -1.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0346    0.0269   -0.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8929    0.3023   -1.7727 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4768   -0.4678    0.3122 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8522   -0.6505    0.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6532    0.6058    0.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9918    0.6416    1.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3106   -1.0410    1.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5947   -0.6511    0.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9746   -0.4094   -1.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7899    1.1802   -0.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9784    0.5263    0.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0346   -1.1785    0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5296    1.3157   -1.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6896   -0.3561   -2.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0320   -1.1015    1.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2137   -1.3904   -0.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6398    0.3451   -0.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2122    1.3892   -0.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9120    1.0454    1.4280 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
  5  7  1  0
  7  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
  4 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
  9 23  1  0
M  END