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CHEBI:75420 - 7-O-[6-(6-methoxycaffeoyl)glucosyl]isovitexin

ChEBI IDCHEBI:75420
ChEBI Name7-O-[6-(6-methoxycaffeoyl)glucosyl]isovitexin
Stars
ASCII Name7-O-[6-(6-methoxycaffeoyl)glucosyl]isovitexin
DefinitionA glycosyloxyflavone that is isovitexin in which the hydroxyl hydrogen at position 7 is replaced by a 6-(6-methoxycaffeoyl)glucosyl residue.
Last Modified21 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC37H38O19
Net Charge0
Average Mass786.692
Monoisotopic Mass786.20073
SMILESCOc1cc(O)c(O)cc1/C=C/C(=O)OC[C@H]1OC(Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C37H38O19/c1-51-20-9-18(41)17(40)8-15(20)4-7-26(43)52-13-25-30(45)33(48)35(50)37(56-25)55-23-11-22-27(19(42)10-21(53-22)14-2-5-16(39)6-3-14)31(46)28(23)36-34(49)32(47)29(44)24(12-38)54-36/h2-11,24-25,29-30,32-41,44-50H,12-13H2,1H3/b7-4+/t24-,25-,29-,30-,32+,33+,34-,35-,36+,37?/m1/s1
InChIKeyHPGBQVVVFYXYSD-CSZGJEGXSA-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)
7-O-[6-(6-methoxycaffeoyl)glucosyl]isovitexin (CHEBI:75420) has functional parent trans-caffeic acid (CHEBI:16433)
7-O-[6-(6-methoxycaffeoyl)glucosyl]isovitexin (CHEBI:75420) has functional parent isovitexin (CHEBI:18330)
7-O-[6-(6-methoxycaffeoyl)glucosyl]isovitexin (CHEBI:75420) has role metabolite (CHEBI:25212)
7-O-[6-(6-methoxycaffeoyl)glucosyl]isovitexin (CHEBI:75420) is a C-glycosyl compound (CHEBI:20857)
7-O-[6-(6-methoxycaffeoyl)glucosyl]isovitexin (CHEBI:75420) is a cinnamate ester (CHEBI:36087)
7-O-[6-(6-methoxycaffeoyl)glucosyl]isovitexin (CHEBI:75420) is a dihydroxyflavone (CHEBI:38686)
7-O-[6-(6-methoxycaffeoyl)glucosyl]isovitexin (CHEBI:75420) is a glycosyloxyflavone (CHEBI:50018)
IUPAC Name 
(1S)-1,5-anhydro-1-[7-({6-O-[(2E)-3-(4,5-dihydroxy-2-methoxyphenyl)prop-2-enoyl]-D-glucopyranosyl}oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol