ChEBI
  Marvin  09090512162D          

 12 11  0  0  1  0            999 V2000
    4.5054   -2.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2235   -3.2843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -2.8655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6556   -3.2716    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3697   -2.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0878   -3.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037   -3.2899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2276   -4.1093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9335   -2.0405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6597   -4.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3656   -2.0277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0919   -4.0838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  2  1  1  0  0  0  0
  8  2  2  0  0  0  0
  3  2  1  0  0  0  0
  3  9  1  1  0  0  0
  4  3  1  0  0  0  0
  4 10  1  1  0  0  0
  5  4  1  0  0  0  0
 11  5  2  0  0  0  0
  6  5  1  0  0  0  0
 12  6  1  0  0  0  0
M  END
> <ID>
CHEBI:17011

> <NAME>
5-dehydro-D-fructose

> <DEFINITION>
A hexose obtained by selective dehydration at the 5-position of D-fructose.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12119; CHEBI:20563; CHEBI:2050

> <SYNONYM>
D-threo-2,5-Hexodiulose; 5-Ketofructose; 5-keto-D-fructose; 5-dehydro-D-fructose; 5-dehydro-D-fructose; 5-Dehydro-D-fructose

> <IUPAC_NAME>
D-threo-hexo-2,5-diulose

> <FORMULA>
C6H10O6

> <MASS>
178.14000

> <MONOISOTOPIC_MASS>
178.04774

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H10O6/c7-1-3(9)5(11)6(12)4(10)2-8/h5-8,11-12H,1-2H2/t5-,6-/m1/s1

> <INCHIKEY>
AWQIYVPBMVSGCL-PHDIDXHHSA-N

> <CAS_REGISTRY_NUMBER>
1684-29-3

> <REAXYS_REGISTRY_NUMBER>
1709912

> <CHEMIDPLUS>
1684-29-3

> <KEGG_COMPOUND_ACCESSION>
C00273

$$$$