Marvin  02050716522D          

 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  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  2  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
    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  2  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  1  0  0  0
  5 11  1  1  0  0  0
  6  7  1  1  0  0  0
 10  8  1  6  0  0  0
 11 12  1  0  0  0  0
M  END
> <ID>
CHEBI:27667

> <NAME>
beta-D-galactose

> <DEFINITION>
A D-galactopyranose having β configuration at the anomeric centre.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42889; CHEBI:42776; CHEBI:10383; CHEBI:22774

> <SYNONYM>
WURCS=2.0/1,1,0/[a2112h-1b_1-5]/1/; Gal-beta; beta-D-galactose; BETA-D-GALACTOSE; beta-D-Galactose; beta-D-Gal

> <IUPAC_NAME>
beta-D-galactopyranose

> <FORMULA>
C6H12O6

> <MASS>
180.15590

> <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-FPRJBGLDSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1680744

> <CAS_REGISTRY_NUMBER>
7296-64-2

> <GMELIN_REGISTRY_NUMBER>
648639

> <REAXYS_REGISTRY_NUMBER>
1680744

> <CHEMIDPLUS>
7296-64-2

> <KEGG_COMPOUND_ACCESSION>
C00962

> <METACYC_ACCESSION>
GALACTOSE

> <PDBECHEM_ACCESSION>
GAL

> <PUBMED_CITATION>
17991151; 18619283; 19443021; 25568069; 31537530

$$$$