C6H8O8
APtclcactv03241713482D 0   0.00000     0.00000
 
 22 21  0  0  0  0  0  0  0  0999 V2000
    6.3301    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1550    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321    0.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2321    0.7110    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7321    1.5771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2321   -1.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9221   -1.5580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  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  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  5 12  1  0  0  0  0
  2 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  CHG  2   7  -1  10  -1
M  END
> <UNIQUE_SMILES>
OCC(O)C(O)C(O)(C([O-])=O)C([O-])=O

> <USER_SUPPLIED_SMILES>
C(C(C(O)C(C([O-])=O)(C([O-])=O)O)O)O

$$$$
