Marvin  02220713502D          

 12 12  0  0  1  0            999 V2000
    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 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 O   0  0  0  0  0  0  0  0  0  0  0  0
    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  1  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
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  4  1  0  0  0  0
  6  8  1  0  0  0  0
  4  2  1  0  0  0  0
  8 10  1  0  0  0  0
  2  1  1  0  0  0  0
 10  1  1  0  0  0  0
  2  3  1  1  0  0  0
  4  5  1  1  0  0  0
  6  7  1  1  0  0  0
  8  9  1  6  0  0  0
 10 12  1  1  0  0  0
 12 11  1  0  0  0  0
M  END
> <ID>
CHEBI:28563

> <NAME>
beta-D-mannose

> <DEFINITION>
A D-mannopyranose in which the anomeric centre has ? configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:10406; CHEBI:41167; CHEBI:22807

> <SYNONYM>
WURCS=2.0/1,1,0/[a1122h-1b_1-5]/1/; beta-D-mannose; beta-D-Mannose; BETA-D-MANNOSE

> <IUPAC_NAME>
beta-D-mannopyranose

> <FORMULA>
C6H12O6

> <MASS>
180.15588

> <MONOISOTOPIC_MASS>
180.06339

> <CHARGE>
0

> <SMILES>
OC[C@H]1O[C@@H](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-RWOPYEJCSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1680742

> <CAS_REGISTRY_NUMBER>
7322-31-8

> <GMELIN_REGISTRY_NUMBER>
648640

> <REAXYS_REGISTRY_NUMBER>
1680742

> <CHEMIDPLUS>
7322-31-8

> <DRUGBANK_ACCESSION>
DB02687

> <KEGG_COMPOUND_ACCESSION>
C02209

> <METACYC_ACCESSION>
CPD-12601

> <PDBECHEM_ACCESSION>
BMA

> <PUBMED_CITATION>
17157281; 25568069; 31537530

$$$$