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CHEBI:75554 - 2''-O-(6-feruloylglucosyl)isovitexin

ChEBI IDCHEBI:75554
ChEBI Name2''-O-(6-feruloylglucosyl)isovitexin
Stars
ASCII Name2''-O-(6-feruloylglucosyl)isovitexin
DefinitionA trihydroxyflavone that is the 6'''-O-feruloyl derivative of isovitexin 2''-O-arabinoside.
Last Modified22 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC37H38O18
Net Charge0
Average Mass770.693
Monoisotopic Mass770.20581
SMILESCOc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3c3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)[C@H](O)[C@@H](O)[C@H]2O)ccc1O
InChIInChI=1S/C37H38O18/c1-50-22-10-15(2-8-18(22)40)3-9-26(43)51-14-25-30(45)32(47)34(49)37(54-25)55-36-33(48)29(44)24(13-38)53-35(36)28-20(42)12-23-27(31(28)46)19(41)11-21(52-23)16-4-6-17(39)7-5-16/h2-12,24-25,29-30,32-40,42,44-49H,13-14H2,1H3/b9-3+/t24-,25-,29-,30+,32+,33+,34-,35+,36-,37+/m1/s1
InChIKeyVJSPPRJRRDZQLT-ODMKJRLBSA-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-(6-feruloylglucosyl)isovitexin (CHEBI:75554) has functional parent trans-ferulic acid (CHEBI:17620)
2''-O-(6-feruloylglucosyl)isovitexin (CHEBI:75554) has functional parent isovitexin (CHEBI:18330)
2''-O-(6-feruloylglucosyl)isovitexin (CHEBI:75554) has role metabolite (CHEBI:25212)
2''-O-(6-feruloylglucosyl)isovitexin (CHEBI:75554) is a C-glycosyl compound (CHEBI:20857)
2''-O-(6-feruloylglucosyl)isovitexin (CHEBI:75554) is a cinnamate ester (CHEBI:36087)
2''-O-(6-feruloylglucosyl)isovitexin (CHEBI:75554) is a disaccharide derivative (CHEBI:63353)
2''-O-(6-feruloylglucosyl)isovitexin (CHEBI:75554) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
(1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-2-O-{6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-β-D-galactopyranosyl}-D-glucitol