HMDB0040591
     RDKit          3D
Allyl butyrate
 21 20  0  0  0  0  0  0  0  0999 V2000
    2.6655    1.4098   -2.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5468    0.6276   -1.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4078   -0.2897    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2027    0.0044    0.7659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0595   -0.0782    0.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2393   -0.4410   -0.9068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2588    0.2667    1.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5546    0.0822    0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7317   -1.3544   -0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8614    1.4785   -2.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4629    2.1230   -2.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8396    1.0093   -0.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3925   -1.3759   -0.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1761   -0.2117    0.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690   -0.4286    2.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1369    1.3060    1.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3658    0.3315    1.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6286    0.7877   -0.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7899   -1.6822    0.1566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1282   -1.9942    0.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931   -1.5708   -1.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  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
  2 12  1  0
  3 13  1  0
  3 14  1  0
  7 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END