KEGG:C11457  3-(3-Hydroxy-phenyl)-propanoic acid
  ISISHOST03240423282D 1   1.00000     0.00000 11772
 12 12  0     0  0            999 V2000
   15.2250  -14.5208    0.0000 C   0  0  0  0  0  0           0  0  0
   15.2250  -15.3500    0.0000 C   0  0  0  0  0  0           0  0  0
   15.9454  -15.7625    0.0000 C   0  0  0  0  0  0           0  0  0
   16.6574  -15.3500    0.0000 C   0  0  0  0  0  0           0  0  0
   16.6574  -14.5208    0.0000 C   0  0  0  0  0  0           0  0  0
   15.9454  -14.1042    0.0000 C   0  0  0  0  0  0           0  0  0
   15.9417  -13.2792    0.0000 C   0  0  0  0  0  0           0  0  0
   16.6542  -12.8667    0.0000 C   0  0  0  0  0  0           0  0  0
   16.6542  -12.0417    0.0000 C   0  0  0  0  0  0           0  0  0
   17.3708  -11.6250    0.0000 O   0  0  0  0  0  0           0  0  0
   15.9394  -11.6254    0.0000 O   0  0  0  0  0  0           0  0  0
   17.3763  -15.7620    0.0000 O   0  0  0  0  0  0           0  0  0
  6  1  1  0     0  0
  6  7  1  0     0  0
  1  2  2  0     0  0
  7  8  1  0     0  0
  2  3  1  0     0  0
  8  9  1  0     0  0
  3  4  2  0     0  0
  9 10  1  0     0  0
  4  5  1  0     0  0
  9 11  2  0     0  0
  5  6  2  0     0  0
  4 12  1  0     0  0
M  END