HMDB0033890
     RDKit          3D
Methyl butyrate
 17 16  0  0  0  0  0  0  0  0999 V2000
   -2.2166    0.6893   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7056   -0.6638   -0.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4235   -1.0318    0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6816   -0.1023   -0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5528    0.8865   -0.8474 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9263   -0.3250    0.4826 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0466    0.4992    0.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4646    1.4142    0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7476    1.1229   -0.9823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9973    0.6591    0.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5818   -0.7587   -1.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4729   -1.4089   -0.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241   -2.0390   -0.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5425   -1.1386    1.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9992   -0.0717    0.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0645    1.3052    0.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0055    0.9634   -0.7636 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
  4  6  1  0
  6  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  7 15  1  0
  7 16  1  0
  7 17  1  0
M  END