C7H12O13P2
APtclcactv03241713432D 0   0.00000     0.00000
 
 34 34  0  0  0  0  0  0  0  0999 V2000
    6.4641    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.4050    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.4050    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.3301    2.4050    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7321   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7321   -3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.9050    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.9050    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0000    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9050    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7321   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2520    1.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8535    0.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671   -0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951   -3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.0250    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
  3  6  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 16 22  1  0  0  0  0
  9 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  CHG  4   4  -1   5  -1  19  -1  21  -1
M  END
> <UNIQUE_SMILES>
OC(CO[P]([O-])([O-])=O)C1OC(O[P]([O-])([O-])=O)C(O)C(O)C1O

> <USER_SUPPLIED_SMILES>
C(OP([O-])([O-])=O)C(O)C1(C(O)C(O)C(O)C(OP([O-])(=O)[O-])O1)

$$$$
