Marvin  12050714042D          

 13 13  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 12  1  1  0  0  0
  1  3  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  1  0  0  0
  5  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  6  0  0  0
  6  4  1  0  0  0  0
  2  6  1  0  0  0  0
  6 10  1  6  0  0  0
 12 11  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
> <ID>
CHEBI:47952

> <NAME>
D-glucopyranuronic acid

> <DEFINITION>
A D-glucuronic acid in cyclic pyranose form.

> <STAR>
3

> <SYNONYM>
Glucuronic acid; Glucuronate

> <IUPAC_NAME>
D-glucopyranuronic acid

> <FORMULA>
C6H10O7

> <MASS>
194.13940

> <MONOISOTOPIC_MASS>
194.04265

> <CHARGE>
0

> <SMILES>
OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O

> <INCHI>
InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6?/m0/s1

> <INCHIKEY>
AEMOLEFTQBMNLQ-AQKNRBDQSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1427741

> <CAS_REGISTRY_NUMBER>
6556-12-3

> <GMELIN_REGISTRY_NUMBER>
397418

> <REAXYS_REGISTRY_NUMBER>
1427741

> <CHEMIDPLUS>
528-16-5

> <DRUGBANK_ACCESSION>
DB03156

> <ECMDB_ACCESSION>
ECMDB04073

> <KEGG_COMPOUND_ACCESSION>
C00191

> <KNAPSACK_ACCESSION>
C00001123

> <METACYC_ACCESSION>
D-Glucopyranuronate

> <PUBMED_CITATION>
1276; 16658890; 17440709; 19093370; 6814425; 6838587; 7504304; 7540499; 8049386; 8111290

$$$$