Marvin  02081012142D          

 13 13  0  0  1  0            999 V2000
   11.3490   -4.5920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3537   -5.4170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6399   -5.8309    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9336   -5.4266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9290   -4.6017    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2105   -4.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0627   -4.1781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0846   -5.8355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6446   -6.6558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2199   -5.8405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6427   -4.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5090   -4.6113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7780   -4.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  1  0  0  0
  2  1  1  0  0  0  0
 11  1  1  0  0  0  0
  2  8  1  6  0  0  0
  3  2  1  0  0  0  0
  3  9  1  1  0  0  0
  4  3  1  0  0  0  0
  4 10  1  6  0  0  0
  5  4  1  0  0  0  0
 11  5  1  0  0  0  0
  5  6  1  1  0  0  0
 12  6  1  0  0  0  0
  7 13  1  0  0  0  0
M  END
> <ID>
CHEBI:320055

> <NAME>
methyl beta-D-glucopyranoside

> <DEFINITION>
A β-D-glucopyranoside having a methyl substituent at the anomeric position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:43887

> <SYNONYM>
Methyl hexopyranoside; Methyl beta-d-glucoside; beta-Methylglucoside; Beta-methyl-d-glucoside; beta-d-Methylglucopyranoside; 1-O-Methyl-beta-D-glucopyranoside

> <IUPAC_NAME>
methyl beta-D-glucopyranoside

> <FORMULA>
C7H14O6

> <MASS>
194.18250

> <MONOISOTOPIC_MASS>
194.07904

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1

> <INCHIKEY>
HOVAGTYPODGVJG-XUUWZHRGSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
81567

> <CAS_REGISTRY_NUMBER>
709-50-2

> <GMELIN_REGISTRY_NUMBER>
408559

> <CHEMIDPLUS>
709-50-2

> <DRUGBANK_ACCESSION>
DB01642

> <NIST_CHEMISTRY_WEBBOOK>
709-50-2

> <PUBMED_CITATION>
11671987; 17929936; 19630436; 7504304

$$$$