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CHEBI:75432 - 2''-O-(β-D-glucosyl)isovitexin

ChEBI IDCHEBI:75432
ChEBI Name2''-O-(β-D-glucosyl)isovitexin
Stars
ASCII Name2''-O-(beta-D-glucosyl)isovitexin
DefinitionA disaccharide derivative that is isovitexin substituted at position 2'' on the glucose ring by a β-D-glucosyl residue.
Last Modified21 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC27H30O15
Net Charge0
Average Mass594.522
Monoisotopic Mass594.15847
SMILESO=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
InChIInChI=1S/C27H30O15/c28-7-15-20(34)23(37)26(42-27-24(38)22(36)19(33)16(8-29)41-27)25(40-15)18-12(32)6-14-17(21(18)35)11(31)5-13(39-14)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25+,26-,27+/m1/s1
InChIKeyRQTTXGQDIROLTQ-FASGCTRLSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2''-O-(β-D-glucosyl)isovitexin (CHEBI:75432) has functional parent isovitexin (CHEBI:18330)
2''-O-(β-D-glucosyl)isovitexin (CHEBI:75432) has role metabolite (CHEBI:25212)
2''-O-(β-D-glucosyl)isovitexin (CHEBI:75432) is a C-glycosyl compound (CHEBI:20857)
2''-O-(β-D-glucosyl)isovitexin (CHEBI:75432) is a disaccharide derivative (CHEBI:63353)
2''-O-(β-D-glucosyl)isovitexin (CHEBI:75432) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
(1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4HH-chromen-6-yl]-2-O-β-D-glucopyranosyl-D-glucitol
Synonyms  Source
Meloside AChemIDplus
2'-O-β-D-glucosylisovitexinChemIDplus
isovitexin 2''-O-glucosideChEBI
isovitexin 2''-β-D-O-glucosideChEBI
Manual XrefsDatabases
C04199KEGG COMPOUND
Registry NumbersSources
CAS:60767-80-8ChemIDplus