Marvin  02220711492D          

 12 12  0  0  1  0            999 V2000
    0.0000   -0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  1  0  0  0  0
  5  9  1  0  0  0  0
  3  1  1  0  0  0  0
  9  6  1  0  0  0  0
  1 10  1  0  0  0  0
  6 10  1  0  0  0  0
  1  2  1  1  0  0  0
  3  4  1  6  0  0  0
  5 11  1  1  0  0  0
  6  7  1  0  0  0  0
 10  8  1  1  0  0  0
 11 12  1  0  0  0  0
M  END
> <ID>
CHEBI:4208

> <NAME>
D-mannopyranose

> <DEFINITION>
D-Mannose in its six-membered ring form.

> <STAR>
3

> <SYNONYM>
WURCS=2.0/1,1,0/[a2122h-1x_1-5]/1/; Seminose; mannopyranose; D-Mannose; D-mannose; Carubinose; (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3S,4S,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol; (3S,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; (3S,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

> <IUPAC_NAME>
D-mannopyranose

> <FORMULA>
C6H12O6

> <MASS>
180.15590

> <MONOISOTOPIC_MASS>
180.06339

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1

> <INCHIKEY>
WQZGKKKJIJFFOK-QTVWNMPRSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1423215

> <CAS_REGISTRY_NUMBER>
3458-28-4

> <GMELIN_REGISTRY_NUMBER>
83255

> <REAXYS_REGISTRY_NUMBER>
1423215

> <CHEMIDPLUS>
530-26-7

> <KEGG_COMPOUND_ACCESSION>
C00159

> <KNAPSACK_ACCESSION>
C00001126

> <METACYC_ACCESSION>
MANNOSE

> <WIKIPEDIA_ACCESSION>
Mannose

> <PUBMED_CITATION>
11414367; 16154739; 17336832; 17439666; 19913595; 23623960; 7504304; 7540499; 9488699

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