KEGG:C11418  (3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone
  ISISHOST03240423282D 1   1.00000     0.00000 11678
 12 12  0     1  0            999 V2000
    2.0725   -4.2571    0.0000 C   0  0  2  0  0  0           0  0  0
    2.8978   -4.2490    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4261   -4.8886    0.0000 O   0  0  0  0  0  0           0  0  0
    1.5650   -4.9099    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2565   -5.6988    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7596   -5.7172    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5137   -6.0677    0.0000 C   0  0  2  0  0  0           0  0  0
    1.7063   -3.5137    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2513   -3.4974    0.0000 O   0  0  0  0  0  0           0  0  0
    2.5244   -6.8968    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8111   -7.3185    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2436   -7.3010    0.0000 C   0  0  0  0  0  0           0  0  0
  6  7  1  0     0  0
  1  4  1  0     0  0
  1  8  1  6     0  0
  2  9  2  0     0  0
  3  5  1  0     0  0
  2  3  1  0     0  0
  4  6  1  0     0  0
  7 10  1  1     0  0
  1  2  1  0     0  0
 10 11  1  0     0  0
  5  7  1  0     0  0
 10 12  2  0     0  0
M  END