KEGG:C05594  3-Methoxy-4-hydroxyphenylethyleneglycol
  ISISHOST03240423122D 1   1.00000     0.00000  4736
 13 13  0     0  0            999 V2000
    0.8448    0.1655    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1379   -1.0655    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2586    0.1690    0.0000 C   0  0  3  0  0  0           0  0  0
    0.1345    1.3897    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2759   -1.0690    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6759    0.1690    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2552    1.5828    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.2793    1.3828    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9862    0.1552    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9897   -2.2897    0.0000 O   0  0  0  0  0  0           0  0  0
    4.0379    1.5379    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.4034    0.1586    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.4069   -2.2862    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  2  0     0  0
  3  6  1  0     0  0
  3  7  1  0     0  0
  4  8  1  0     0  0
  5  9  1  0     0  0
  5 10  1  0     0  0
  6 11  1  0     0  0
  9 12  1  0     0  0
 10 13  1  0     0  0
  8  9  2  0     0  0
M  END