Marvin  03051216092D          

 23 24  0  0  1  0            999 V2000
    9.7854   -2.5719    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3005   -3.2394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6104   -2.5719    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0953   -3.2394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8654   -1.7873    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1979   -1.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6500   -1.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2631   -2.0844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5305   -1.7873    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1180   -1.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5305   -0.3584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8160   -2.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1015   -1.7873    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3871   -0.5498    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6726   -0.9623    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6726   -1.7873    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3871   -2.1999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1015   -0.9623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3871   -3.0249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9581   -0.5498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3871    0.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9581   -2.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6726    0.6877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  6  9  1  0  0  0  0
  1  2  1  6  0  0  0
  3  1  1  0  0  0  0
  3  4  1  1  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  5  7  1  6  0  0  0
  8  7  1  0  0  0  0
  9 10  1  1  0  0  0
 10 11  1  0  0  0  0
  9 12  1  6  0  0  0
 13 12  1  6  0  0  0
 17 13  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  1  0  0  0
 15 20  1  6  0  0  0
 14 21  1  1  0  0  0
 16 22  1  1  0  0  0
 21 23  1  0  0  0  0
M  END
> <ID>
CHEBI:51833

> <NAME>
beta-D-fructofuranosyl alpha-D-mannopyranoside

> <STAR>
3

> <SYNONYM>
Mannosylfructose; mannosylfructose; Mannosucrose; beta-D-fructofuranosyl-alpha-D-mannopyranoside; beta-D-fructofuranosyl alpha-D-mannopyranoside

> <IUPAC_NAME>
beta-D-fructofuranosyl alpha-D-mannopyranoside

> <FORMULA>
C12H22O11

> <MASS>
342.29650

> <MONOISOTOPIC_MASS>
342.11621

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9+,10+,11-,12+/m1/s1

> <INCHIKEY>
CZMRCDWAGMRECN-VJRJJCRKSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
7977797

> <CAS_REGISTRY_NUMBER>
79324-70-2

> <CHEMIDPLUS>
79324-70-2

> <KEGG_COMPOUND_ACCESSION>
C18068

$$$$