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CHEBI:75398 - chrysoeriol 7-O-gentiobioside

ChEBI IDCHEBI:75398
ChEBI Namechrysoeriol 7-O-gentiobioside
Stars
ASCII Namechrysoeriol 7-O-gentiobioside
DefinitionA glycosyloxyflavone that is chrysoeriol in which the hydroxyl hydrogen at position 7 is replaced by a gentiobiosyl moiety.
Last Modified21 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC28H32O16
Net Charge0
Average Mass624.548
Monoisotopic Mass624.16903
SMILESCOc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)ccc1O
InChIInChI=1S/C28H32O16/c1-39-16-4-10(2-3-12(16)30)15-7-14(32)20-13(31)5-11(6-17(20)42-15)41-28-26(38)24(36)22(34)19(44-28)9-40-27-25(37)23(35)21(33)18(8-29)43-27/h2-7,18-19,21-31,33-38H,8-9H2,1H3/t18-,19-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1
InChIKeyVBQHDIZHOUCBIA-FJUFGMPQSA-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)
chrysoeriol 7-O-gentiobioside (CHEBI:75398) has functional parent 4',5,7-trihydroxy-3'-methoxyflavone (CHEBI:16514)
chrysoeriol 7-O-gentiobioside (CHEBI:75398) has role metabolite (CHEBI:25212)
chrysoeriol 7-O-gentiobioside (CHEBI:75398) is a dihydroxyflavone (CHEBI:38686)
chrysoeriol 7-O-gentiobioside (CHEBI:75398) is a disaccharide derivative (CHEBI:63353)
chrysoeriol 7-O-gentiobioside (CHEBI:75398) is a gentiobioside (CHEBI:24215)
chrysoeriol 7-O-gentiobioside (CHEBI:75398) is a glycosyloxyflavone (CHEBI:50018)
chrysoeriol 7-O-gentiobioside (CHEBI:75398) is a monomethoxyflavone (CHEBI:25401)
IUPAC Name 
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside
Synonym  Source
chrysoeriol 7-O-diglucosideChEBI