C7H13O10P
APtclcactv03231719493D 0   0.00000     0.00000
 
 31 31  0  0  0  0  0  0  0  0999 V2000
    2.2479    2.1070    0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5451    0.6314    0.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2376   -0.1631    0.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6076    0.1632    1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5566    0.0637   -0.8443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7303   -0.5432   -0.7443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5823   -2.0652   -0.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2294   -2.4376    0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5468   -1.6541    0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3462   -2.0940   -0.5583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5117   -2.0989    1.7377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8755   -2.6687   -0.6083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3830   -0.0807    0.4398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2088    1.2394    0.0305 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2565    0.8776   -1.0767 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.9526    1.8014    1.2896 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2209    2.3238   -0.5196 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4192    0.1258   -0.6105 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4515    2.8668    0.2528 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8533    2.2166   -0.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    2.4691    0.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0216    0.5318    1.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3272   -0.2725   -1.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0641   -2.4179   -1.5739 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4399   -3.5070    0.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0852   -1.8193    1.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5108   -3.0375   -0.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3360   -2.6032    1.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3538   -2.4032   -1.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9608    0.2324   -1.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2205    3.7884    0.0726 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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  CHG  2  15  -1  17  -1
M  END
> <UNIQUE_SMILES>
OCC(O)C1OC(O[P]([O-])([O-])=O)C(O)C(O)C1O

> <USER_SUPPLIED_SMILES>
C(C([CH]1(OC(C(C(C1O)O)O)OP([O-])(=O)[O-]))O)O

$$$$
