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CHEBI:75461 - 4'-O-β-glucosyl-7-O-(6-O-sinapoylglucosyl)tricin

ChEBI IDCHEBI:75461
ChEBI Name4'-O-β-glucosyl-7-O-(6-O-sinapoylglucosyl)tricin
Stars
ASCII Name4'-O-beta-glucosyl-7-O-(6-O-sinapoylglucosyl)tricin
DefinitionA glycosyloxyflavone that is tricin substituted at positions 4 and 7 by β-glucosyl 6-O-sinapoylglucosyl residues respectively.
Last Modified21 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC40H44O21
Net Charge0
Average Mass860.771
Monoisotopic Mass860.23751
SMILESCOc1cc(/C=C/C(=O)OC[C@H]2OC(Oc3cc(O)c4c(=O)cc(-c5cc(OC)c(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c(OC)c5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O
InChIInChI=1S/C40H44O21/c1-52-23-7-16(8-24(53-2)31(23)45)5-6-29(44)56-15-28-33(47)35(49)36(50)39(60-28)57-18-11-19(42)30-20(43)13-21(58-22(30)12-18)17-9-25(54-3)38(26(10-17)55-4)61-40-37(51)34(48)32(46)27(14-41)59-40/h5-13,27-28,32-37,39-42,45-51H,14-15H2,1-4H3/b6-5+/t27-,28-,32-,33-,34+,35+,36-,37-,39?,40+/m1/s1
InChIKeyGIXLEVGBLVGTLU-XPXDPMQDSA-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)
4'-O-β-glucosyl-7-O-(6-O-sinapoylglucosyl)tricin (CHEBI:75461) has functional parent trans-sinapic acid (CHEBI:15714)
4'-O-β-glucosyl-7-O-(6-O-sinapoylglucosyl)tricin (CHEBI:75461) has functional parent 3',5'-di-O-methyltricetin (CHEBI:59979)
4'-O-β-glucosyl-7-O-(6-O-sinapoylglucosyl)tricin (CHEBI:75461) has role metabolite (CHEBI:25212)
4'-O-β-glucosyl-7-O-(6-O-sinapoylglucosyl)tricin (CHEBI:75461) is a cinnamate ester (CHEBI:36087)
4'-O-β-glucosyl-7-O-(6-O-sinapoylglucosyl)tricin (CHEBI:75461) is a dimethoxyflavone (CHEBI:23798)
4'-O-β-glucosyl-7-O-(6-O-sinapoylglucosyl)tricin (CHEBI:75461) is a glycosyloxyflavone (CHEBI:50018)
4'-O-β-glucosyl-7-O-(6-O-sinapoylglucosyl)tricin (CHEBI:75461) is a monohydroxyflavone (CHEBI:38687)
4'-O-β-glucosyl-7-O-(6-O-sinapoylglucosyl)tricin (CHEBI:75461) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
2-[4-(β-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl 6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-D-glucopyranoside