Ketcher 05042022092D 1   1.00000     0.00000     0

 21 22  0     0  0            999 V2000
    6.8671   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  6     0  0
 13  1  1  6     0  0
  2 11  1  0     0  0
  2 16  1  0     0  0
  3 19  1  0     0  0
  3 20  1  0     0  0
 12  4  1  6     0  0
 14  5  1  1     0  0
 15  6  1  6     0  0
 17  7  1  1     0  0
 18  8  1  6     0  0
  9 19  1  0     0  0
 10 21  1  0     0  0
 11 12  1  0     0  0
 12 14  1  0     0  0
 13 17  1  0     0  0
 13 18  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 21  1  1     0  0
 17 19  1  0     0  0
 18 20  1  0     0  0
M  END
> <ID>
CHEBI:148938

> <NAME>
alpha-D-Glcp-(1->3)-D-Arap

> <DEFINITION>
A disaccharide consisting of α-D-glucopyranose and D-arabinopyranose residues joined in sequence by a (1→3) glycosidic bond.

> <STAR>
3

> <SYNONYM>
WURCS=2.0/2,2,1/[a122h-1x_1-5][a2122h-1a_1-5]/1-2/a3-b1; alpha-D-gluco-hexopyranosyl-(1->3)-D-arabino-pentopyranose; (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(3S,4R,5R)-2,3,5-trihydroxyoxan-4-yl]oxyoxane-3,4,5-triol

> <IUPAC_NAME>
Glc(a1-3)D-Ara; 3-O-alpha-D-glucopyranosyl-D-arabinopyranose

> <FORMULA>
C11H20O10

> <MASS>
312.271

> <MONOISOTOPIC_MASS>
312.10565

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C11H20O10/c12-1-4-5(14)6(15)7(16)11(20-4)21-9-3(13)2-19-10(18)8(9)17/h3-18H,1-2H2/t3-,4-,5-,6+,7-,8+,9-,10?,11-/m1/s1

> <INCHIKEY>
XSXQXHMPBBNYRD-BQVOAQMCSA-N

> <KEGG_GLYCAN_ACCESSION>
G10069

$$$$