KEGG:C12292  Ethyl octanoate
  ISISHOST07280423302D 1   1.00000     0.00000 14726
 12 11  0     0  0            999 V2000
   -2.5625  -29.0625    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8458  -28.6458    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1333  -29.0583    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.4167  -28.6417    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3000  -29.0542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0167  -28.6375    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7333  -29.0500    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4208  -27.8125    0.0000 O   0  0  0  0  0  0           0  0  0
    2.4500  -28.6333    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1667  -29.0458    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8792  -28.6292    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5958  -29.0417    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  6  7  1  0     0  0
  3  4  1  0     0  0
  4  8  2  0     0  0
  7  9  1  0     0  0
  4  5  1  0     0  0
  9 10  1  0     0  0
  2  3  1  0     0  0
 10 11  1  0     0  0
  5  6  1  0     0  0
 11 12  1  0     0  0
M  END