76552238
  CDK     0110221632

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.5981    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0 
  1 14  1  0  0  0  0 
  2 14  1  0  0  0  0 
  2 16  1  0  0  0  0 
  3 10  1  0  0  0  0 
  4 11  1  0  0  0  0 
  5 12  1  0  0  0  0 
  6 15  1  0  0  0  0 
  7 15  2  0  0  0  0 
  8 17  1  0  0  0  0 
  9 17  2  0  0  0  0 
 10 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 16 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:189010

> <NAME>
6-(carboxymethoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

> <STAR>
2

> <IUPAC_NAME>
6-(carboxymethoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

> <FORMULA>
C8H12O9

> <MASS>
252.175

> <MONOISOTOPIC_MASS>
252.04813

> <CHARGE>
0

> <SMILES>
O1C(C(O)C(O)C(O)C1OCC(O)=O)C(O)=O

> <INCHI>
InChI=1S/C8H12O9/c9-2(10)1-16-8-5(13)3(11)4(12)6(17-8)7(14)15/h3-6,8,11-13H,1H2,(H,9,10)(H,14,15)

> <INCHIKEY>
YTROWDYBXDZWOR-UHFFFAOYSA-N

$$$$