Marvin  12260718012D          

 13 12  0  0  1  0            999 V2000
    2.1434   -0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.2357    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -0.1768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289    0.2357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.2357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  8  2  2  0  0  0  0
  3  2  1  0  0  0  0
  3 10  1  6  0  0  0
  4  3  1  0  0  0  0
  4 11  1  6  0  0  0
  4  5  1  0  0  0  0
  5 12  1  6  0  0  0
  5  6  1  0  0  0  0
  6 13  1  1  0  0  0
  6  7  1  0  0  0  0
  9  7  1  0  0  0  0
M  END
> <ID>
CHEBI:33198

> <NAME>
D-gluconic acid

> <DEFINITION>
A gluconic acid having D-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42715; CHEBI:4157; CHEBI:20986

> <SYNONYM>
Maltonic acid; Hexonic acid; Glycogenic acid; GLUCONIC ACID; Gluconic acid; Dextronic acid; D-Glukonsaeure; D-Gluconsaeure; D-Gluconic acid; D-gluco-Hexonic acid; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid

> <IUPAC_NAME>
D-gluconic acid

> <FORMULA>
C6H12O7

> <MASS>
196.15528

> <MONOISOTOPIC_MASS>
196.05830

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1

> <INCHIKEY>
RGHNJXZEOKUKBD-SQOUGZDYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1726055

> <CAS_REGISTRY_NUMBER>
526-95-4

> <GMELIN_REGISTRY_NUMBER>
83545

> <REAXYS_REGISTRY_NUMBER>
1726055

> <CHEMIDPLUS>
526-95-4

> <KEGG_COMPOUND_ACCESSION>
C00257

> <KNAPSACK_ACCESSION>
C00007303

> <METACYC_ACCESSION>
GLUCONATE

> <PDBECHEM_ACCESSION>
GCO

> <WIKIPEDIA_ACCESSION>
Gluconic_acid

> <PUBMED_CITATION>
11777404; 17439666; 19577953; 20222845; 21086198; 21424687; 21819772; 22352719; 22541639; 22688246; 22770225; 24024763

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