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CHEBI:75368 - isovitexin 7-O-[feruloyl]-glucoside

ChEBI IDCHEBI:75368
ChEBI Nameisovitexin 7-O-[feruloyl]-glucoside
Stars
ASCII Nameisovitexin 7-O-[feruloyl]-glucoside
DefinitionA C-glycosyl compound that is isovitexin with the hydroxy group at position 7 replaced with a glucopyranosyl entity which in turn is substituted at position 6 by a feruloyl moiety.
Last Modified2 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC37H38O18
Net Charge0
Average Mass770.693
Monoisotopic Mass770.20581
SMILESCOc1cc(/C=C/C(=O)OCC2OC(Oc3cc4oc(-c5ccc(O)cc5)cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O
InChIInChI=1S/C37H38O18/c1-50-21-10-15(2-8-18(21)40)3-9-26(42)51-14-25-30(44)33(47)35(49)37(55-25)54-23-12-22-27(19(41)11-20(52-22)16-4-6-17(39)7-5-16)31(45)28(23)36-34(48)32(46)29(43)24(13-38)53-36/h2-12,24-25,29-30,32-40,43-49H,13-14H2,1H3/b9-3+/t24-,25?,29-,30-,32+,33+,34-,35-,36+,37?/m1/s1
InChIKeyQPRAHMMZLWQOGS-QJBYDKKXSA-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)
isovitexin 7-O-[feruloyl]-glucoside (CHEBI:75368) has functional parent trans-ferulic acid (CHEBI:17620)
isovitexin 7-O-[feruloyl]-glucoside (CHEBI:75368) has functional parent isovitexin (CHEBI:18330)
isovitexin 7-O-[feruloyl]-glucoside (CHEBI:75368) has role metabolite (CHEBI:25212)
isovitexin 7-O-[feruloyl]-glucoside (CHEBI:75368) is a C-glycosyl compound (CHEBI:20857)
isovitexin 7-O-[feruloyl]-glucoside (CHEBI:75368) is a cinnamate ester (CHEBI:36087)
isovitexin 7-O-[feruloyl]-glucoside (CHEBI:75368) is a dihydroxyflavone (CHEBI:38686)
IUPAC Name 
(1S)-1,5-anhydro-1-[5-hydroxy-7-({6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-D-glucopyranosyl}oxy)-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol