Marvin  02060909372D          

 12 12  0  0  1  0            999 V2000
   -0.2952   -1.6302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0800   -1.3753    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0800   -0.5502    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0403   -2.4147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7473   -1.8602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2954   -0.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5009   -0.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7474   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6187   -0.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1895   -0.9627    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9040   -0.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  0  0  0  0
 11  6  1  0  0  0  0
  1  4  1  1  0  0  0
  1  2  1  0  0  0  0
  2  5  1  6  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  1  0  0  0
  8  7  1  0  0  0  0
 11  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  1  0  0  0
M  END
> <ID>
CHEBI:28645

> <NAME>
beta-D-fructofuranose

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42560; CHEBI:10373; CHEBI:22766

> <SYNONYM>
FRUCTOSE; beta-Levulose; beta-Fruit sugar; beta-D-fructose; beta-D-Fructose; beta-D-arabino-Hexulose

> <IUPAC_NAME>
beta-D-fructofuranose

> <FORMULA>
C6H12O6

> <MASS>
180.15588

> <MONOISOTOPIC_MASS>
180.06339

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1

> <INCHIKEY>
RFSUNEUAIZKAJO-ARQDHWQXSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1680732

> <CAS_REGISTRY_NUMBER>
53188-23-1

> <KEGG_COMPOUND_ACCESSION>
C02336

> <KNAPSACK_ACCESSION>
C00001117

> <PDBECHEM_ACCESSION>
FRU

$$$$