ChEBI
  Mrv0541 08281414342D          

 12 11  0  0  1  0            999 V2000
    6.6806  -16.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9661  -17.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2529  -17.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9674  -16.7460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5385  -16.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5385  -15.9210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1095  -16.7460    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1095  -15.9210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8240  -17.1585    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8240  -17.9835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3951  -17.1585    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3951  -17.9835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
 11  7  1  0  0  0  0
  7  9  1  0  0  0  0
  9  5  1  0  0  0  0
  5  3  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  1  0  0  0
  9 10  1  6  0  0  0
 11 12  1  6  0  0  0
M  END
> <ID>
CHEBI:27605

> <NAME>
D-psicose

> <DEFINITION>
The D-enantiomer of psicose.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4227; CHEBI:21071

> <SYNONYM>
D-ribo-2-Ketohexulose; D-ribo-2-Hexulose; D-Psicose; D-Psicose; D-Psi; D-Pseudofructose; D-erythro-Hexulose; D-Altrulose; D-allulose; D-Allulose

> <IUPAC_NAME>
D-ribo-hex-2-ulose; D-psicose

> <FORMULA>
C6H12O6

> <MASS>
180.15590

> <MONOISOTOPIC_MASS>
180.06339

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m1/s1

> <INCHIKEY>
BJHIKXHVCXFQLS-PUFIMZNGSA-N

> <CAS_REGISTRY_NUMBER>
551-68-8

> <CHEMIDPLUS>
551-68-8

> <KEGG_COMPOUND_ACCESSION>
C06468

> <METACYC_ACCESSION>
PSICOSE

> <WIKIPEDIA_ACCESSION>
Psicose

> <PUBMED_CITATION>
18517216; 22224918

$$$$