KEGG:C11403  (3S,6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone
  ISISHOST03240423282D 1   1.00000     0.00000 11636
 12 12  0     1  0            999 V2000
    3.9308   -2.2071    0.0000 C   0  0  2  0  0  0           0  0  0
    4.7561   -2.1990    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2844   -2.8386    0.0000 O   0  0  0  0  0  0           0  0  0
    3.4233   -2.8599    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1148   -3.6488    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6179   -3.6672    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3720   -4.0177    0.0000 C   0  0  1  0  0  0           0  0  0
    3.5646   -1.4637    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1096   -1.4474    0.0000 O   0  0  0  0  0  0           0  0  0
    4.3827   -4.8468    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6694   -5.2685    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1066   -5.2500    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  5  7  1  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
  7 10  1  6     0  0
  2  3  1  0     0  0
 10 11  1  0     0  0
  4  6  1  0     0  0
 10 12  2  0     0  0
M  END