Marvin  06261209332D          

 13 12  0  0  1  0            999 V2000
   21.7587   -4.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0442   -5.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.3297   -4.5875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.6153   -5.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.9008   -4.5875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1863   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4719   -4.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4731   -5.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   21.0442   -5.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3297   -3.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6153   -5.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9008   -3.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7587   -3.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  2  9  1  6  0  0  0
  3 10  1  6  0  0  0
  4 11  1  6  0  0  0
  5 12  1  1  0  0  0
 13  1  2  0  0  0  0
M  CHG  1   8  -1
M  END
> <ID>
CHEBI:18391

> <NAME>
D-gluconate

> <DEFINITION>
A gluconate having D-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12955; CHEBI:20983; CHEBI:20985

> <SYNONYM>
Maltonate; Glyconate; Glycogenate; Dextronate; D-gluconate; 2,3,4,5,6-pentahydroxyhexanoate

> <IUPAC_NAME>
D-gluconate

> <FORMULA>
C6H11O7

> <MASS>
195.14730

> <MONOISOTOPIC_MASS>
195.05103

> <CHARGE>
-1

> <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)/p-1/t2-,3-,4+,5-/m1/s1

> <INCHIKEY>
RGHNJXZEOKUKBD-SQOUGZDYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3906521

> <GMELIN_REGISTRY_NUMBER>
83544

> <REAXYS_REGISTRY_NUMBER>
3906521

> <KEGG_COMPOUND_ACCESSION>
C00257

> <METACYC_ACCESSION>
GLUCONATE

> <PUBMED_CITATION>
17439666

$$$$