Marvin  03310812362D          

 13 13  0  0  1  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8974   -1.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8974   -1.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4521   -0.2300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8109   -0.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3819   -0.0724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3819    0.7526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -0.4849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3819   -0.8974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
 12  1  1  0  0  0  0
  7  2  2  0  0  0  0
  6  3  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
 12  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  6  0  0  0
 12 13  1  6  0  0  0
M  END
> <ID>
CHEBI:27956

> <NAME>
L-dehydroascorbic acid

> <DEFINITION>
Dehydroascorbic acid having the L-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:21280; CHEBI:21279; CHEBI:6210

> <SYNONYM>
oxidized vitamin C; oxidized ascorbic acid; L-threo-hexo-2,3-diulosono-1,4-lactone; L-threo-2,3-hexodiulosonic acid, gamma-lactone; L-Dehydroascorbic acid; L-Dehydroascorbate; L-Dehydroascorbate; DHAA; Dehydroascorbic acid; dehydroascorbic acid; dehydro-L-ascorbic acid

> <IUPAC_NAME>
(5R)-5-[(1S)-1,2-dihydroxyethyl]furan-2,3,4(5H)-trione

> <FORMULA>
C6H6O6

> <MASS>
174.10824

> <MONOISOTOPIC_MASS>
174.01644

> <CHARGE>
0

> <SMILES>
[H][C@@]1(OC(=O)C(=O)C1=O)[C@@H](O)CO

> <INCHI>
InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1

> <INCHIKEY>
SBJKKFFYIZUCET-JLAZNSOCSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
84277

> <CAS_REGISTRY_NUMBER>
490-83-5

> <GMELIN_REGISTRY_NUMBER>
51038

> <REAXYS_REGISTRY_NUMBER>
84277

> <CHEMIDPLUS>
490-83-5

> <KEGG_COMPOUND_ACCESSION>
C05422

> <KNAPSACK_ACCESSION>
C00007380

> <PUBMED_CITATION>
15013385; 18813862; 23543734; 9506998

$$$$