KEGG:C06580  2,3-Dihydroxy-p-cumate
  ISISHOST03240423152D 1   1.00000     0.00000  5647
 14 14  0     0  0            999 V2000
   -0.2034   -0.8276    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5103   -0.4138    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9241   -0.4138    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2034   -1.6586    0.0000 C   0  0  3  0  0  0           0  0  0
    0.5103    0.4138    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2276   -0.8276    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.9241    0.4138    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9207   -2.0759    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5138   -2.0724    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2034    0.8310    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2276    0.8310    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.2034    1.6586    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5138    2.0724    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.9207    2.0724    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  2  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  4  8  1  0     0  0
  4  9  1  0     0  0
  5 10  1  0     0  0
  5 11  1  0     0  0
 10 12  1  0     0  0
 12 13  1  0     0  0
 12 14  2  0     0  0
  7 10  2  0     0  0
M  END