C6H10O6
APtclcactv03241713422D 0   0.00000     0.00000
 
 22 22  0  0  0  0  0  0  0  0999 V2000
    3.1249    1.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1738    1.6581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328    0.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897   -0.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839    0.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5929   -0.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0051   -1.6982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5929   -0.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1807   -1.6982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9019    0.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8529    0.3709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0929    0.6497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7445    1.3707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2112    1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0449    2.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617   -0.2355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1869    0.6743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8743   -1.4416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2573   -2.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9989    0.6743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9819    0.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  5 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
M  END
> <UNIQUE_SMILES>
OCC(O)C1OC(O)C(=O)C1O

> <USER_SUPPLIED_SMILES>
C(O)C(O)C1(C(O)C(=O)C(O)O1)

$$$$
