ChEBI
  Marvin  02071116512D          

 22 23  0  0  1  0            999 V2000
   13.2550  -21.4254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5405  -21.8379    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8180  -21.4398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8510  -23.0895    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8510  -23.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1119  -21.8665    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5570  -22.6628    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2715  -23.0753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1284  -22.6913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4139  -23.1038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3974  -21.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6830  -21.8665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9685  -21.4540    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9685  -20.6290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5396  -20.6290    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8252  -20.2165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5396  -21.4540    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8252  -21.8665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2541  -21.8665    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2541  -22.6915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2541  -20.2165    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2541  -19.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  7  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  6  1  0  0  0  0
  6  9  1  0  0  0  0
  9  4  1  0  0  0  0
  4  7  1  0  0  0  0
  4  5  1  1  0  0  0
  6 11  1  1  0  0  0
  7  8  1  6  0  0  0
  9 10  1  6  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  0  0  0
 19 13  1  0  0  0  0
 13 14  1  0  0  0  0
 21 15  1  0  0  0  0
 21 14  1  0  0  0  0
 15 17  1  0  0  0  0
 17 19  1  0  0  0  0
 15 16  1  1  0  0  0
 17 18  1  6  0  0  0
 19 20  1  6  0  0  0
 21 22  1  6  0  0  0
M  END
> <ID>
CHEBI:27522

> <NAME>
rutinose

> <DEFINITION>
A glycosylglucose in which the glycosyl moiety is L-rhamnose linked α to C-6 of D-glucose.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:26586; CHEBI:8924

> <SYNONYM>
rutinose; Rutinose; 6-O-alpha-L-rhamnopyranosyl-D-glucose; 6-O-(6-deoxy-alpha-L-mannopyranosyl)-D-glucose; 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose

> <IUPAC_NAME>
alpha-L-rhamnopyranosyl-(1->6)-D-glucose

> <FORMULA>
C12H22O10

> <MASS>
326.29710

> <MONOISOTOPIC_MASS>
326.12130

> <CHARGE>
0

> <SMILES>
C[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/C12H22O10/c1-3-5(13)7(15)10(18)12(21-3)20-2-4-6(14)8(16)9(17)11(19)22-4/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11+,12+/m0/s1

> <INCHIKEY>
OVVGHDNPYGTYIT-BNXXONSGSA-N

> <CAS_REGISTRY_NUMBER>
90-74-4

> <CHEMIDPLUS>
90-74-4

> <KEGG_COMPOUND_ACCESSION>
C08247

> <KNAPSACK_ACCESSION>
C00001147

> <METACYC_ACCESSION>
CPD-12733

> <WIKIPEDIA_ACCESSION>
Rutinose

> <PUBMED_CITATION>
19177231; 20358178

$$$$