Marvin  09150809182D          

 23 24  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
   -0.7145   -0.4125    0.0000 C   0  0  1  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
    0.7145    0.4125    0.0000 C   0  0  1  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
   -2.8579    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 O   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
   -3.5724    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    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
   -4.2868    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0013    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.0625    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   -1.6500    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
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2 12  1  1  0  0  0
  2  3  1  0  0  0  0
  3 18  1  1  0  0  0
  3  4  1  0  0  0  0
  4 19  1  1  0  0  0
  1  5  1  0  0  0  0
  5 20  1  6  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6 21  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  6  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  1  0  0  0
 11 15  1  0  0  0  0
 11 22  1  1  0  0  0
 13 16  1  1  0  0  0
 13 15  1  0  0  0  0
 15 17  1  6  0  0  0
 22 23  1  0  0  0  0
M  END
> <ID>
CHEBI:4808

> <NAME>
epimelibiose

> <DEFINITION>
A α-D-Manp-(1→6)-D-Galp in which the carbon bearing the anomeric hydroxy group has α configuration.

> <STAR>
3

> <SYNONYM>
WURCS=2.0/2,2,1/[a2112h-1x_1-5][a1122h-1a_1-5]/1-2/a6-b1; Epimelibiose; 6-O-alpha-D-mannopyranosyl-alpha-D-galactopyranose; 6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose

> <IUPAC_NAME>
alpha-D-mannopyranosyl-(1->6)-alpha-D-galactopyranose

> <FORMULA>
C12H22O11

> <MASS>
342.29648

> <MONOISOTOPIC_MASS>
342.11621

> <CHARGE>
0

> <SMILES>
OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O

> <INCHI>
InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6+,7+,8+,9-,10+,11+,12+/m1/s1

> <INCHIKEY>
DLRVVLDZNNYCBX-OVEBFGLASA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1435368

> <CAS_REGISTRY_NUMBER>
17296-19-4

> <REAXYS_REGISTRY_NUMBER>
1435368

> <KEGG_COMPOUND_ACCESSION>
C05400

> <KEGG_GLYCAN_ACCESSION>
G10529

> <PUBMED_CITATION>
13416199; 13460592; 17345316

$$$$