Marvin  05061013172D          

 18 19  0  0  1  0            999 V2000
   10.5000   -4.6643    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5000   -5.4893    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7856   -4.2518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7856   -5.9018    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0712   -4.6643    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0712   -5.4893    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2145   -4.2518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2145   -5.9018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7856   -6.7268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3567   -5.9018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3567   -4.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6422   -4.6643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6423   -5.4892    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9278   -5.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2134   -5.4892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9278   -4.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0589   -6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0710   -7.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  1  7  1  1  0  0  0
  2  8  1  6  0  0  0
  4  9  1  1  0  0  0
  6 10  1  6  0  0  0
  5 11  1  1  0  0  0
  5  6  1  0  0  0  0
 13 10  1  0  0  0  0
 12 13  1  0  0  0  0
 12 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 13 17  1  6  0  0  0
  9 18  1  0  0  0  0
M  END
> <ID>
CHEBI:59362

> <NAME>
4,6-(1'-carboxyethylidene)-3-O-methyl-beta-D-glucopyranose

> <DEFINITION>
A monosaccharide derivative that is β-D-glucopyranose having a methyl group at the 3-position and a 1-carboxyethylidene group masking the 4-and 6-positions.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41529

> <SYNONYM>
GPL-8 terminal monosaccharide

> <IUPAC_NAME>
4,6-O-[(1S)-1-carboxyethylidene]-O-methyl-beta-D-glucopyranose

> <FORMULA>
C10H16O8

> <MASS>
264.22920

> <MONOISOTOPIC_MASS>
264.08452

> <CHARGE>
0

> <SMILES>
CO[C@@H]1[C@@H](O)[C@H](O)O[C@@H]2CO[C@@](C)(O[C@@H]12)C(O)=O

> <INCHI>
InChI=1S/C10H16O8/c1-10(9(13)14)16-3-4-6(18-10)7(15-2)5(11)8(12)17-4/h4-8,11-12H,3H2,1-2H3,(H,13,14)/t4-,5-,6-,7-,8-,10+/m1/s1

> <INCHIKEY>
RKOWTPQPVCUEFB-NJZVZMLASA-N

> <DRUGBANK_ACCESSION>
DB04386

> <PUBMED_CITATION>
2476400

$$$$