KEGG:C05577  3,4-Dihydroxymandelaldehyde
  ISISHOST03240423122D 1   1.00000     0.00000  4721
 12 12  0     0  0            999 V2000
    0.5931   -0.0241    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1034   -1.2552    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1276    1.1966    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0035   -0.0207    0.0000 C   0  0  3  0  0  0           0  0  0
   -1.5207   -1.2655    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5448    1.1828    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4207   -0.0207    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0000    1.3966    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.2414   -0.0483    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.2379   -2.4897    0.0000 O   0  0  0  0  0  0           0  0  0
    3.4172    1.3966    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.6586   -0.0483    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  3  6  2  0     0  0
  4  7  1  0     0  0
  4  8  1  0     0  0
  5  9  2  0     0  0
  5 10  1  0     0  0
  7 11  2  0     0  0
  9 12  1  0     0  0
  6  9  1  0     0  0
M  END