C14H23N2O9
APtclcactv03241713462D 0   0.00000     0.00000
 
 48 48  0  0  0  0  0  0  0  0999 V2000
    3.7321    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3521    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1121    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1742    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176   -2.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162   -2.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -0.6900    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  2  0  0  0  0
  3  5  1  0  0  0  0
  2  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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 10 22  1  0  0  0  0
  8 24  1  0  0  0  0
  7 25  2  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  6 30  1  0  0  0  0
  8 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
M  CHG  1   5  -1
M  END
> <UNIQUE_SMILES>
CC(NC(=O)C(C)OC1C(O)C(CO)OC(O)C1NC(C)=O)C([O-])=O

> <USER_SUPPLIED_SMILES>
CC(C(=O)[O-])NC(C(OC1(C(NC(=O)C)C(O)OC(CO)C(O)1))C)=O

$$$$
