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CHEBI:75517 - 7-O-(6-feruoylglucosyl)isoorientin

ChEBI IDCHEBI:75517
ChEBI Name7-O-(6-feruoylglucosyl)isoorientin
Stars
ASCII Name7-O-(6-feruoylglucosyl)isoorientin
DefinitionA C-glycosyl compound that is isoorientin in which the hydroxyl hydrogen at position 7 is replaced by a 6-feruloylglucosyl residue.
Last Modified21 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC37H38O19
Net Charge0
Average Mass786.692
Monoisotopic Mass786.20073
SMILESCOc1cc(/C=C/C(=O)OC[C@H]2OC(Oc3cc4oc(-c5ccc(O)c(O)c5)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/C37H38O19/c1-51-21-8-14(2-5-17(21)40)3-7-26(43)52-13-25-30(45)33(48)35(50)37(56-25)55-23-11-22-27(19(42)10-20(53-22)15-4-6-16(39)18(41)9-15)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/b7-3+/t24-,25-,29-,30-,32+,33+,34-,35-,36+,37?/m1/s1
InChIKeyCRZJAZVDNXUPOH-STCLERKASA-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-feruoylglucosyl)isoorientin (CHEBI:75517) has functional parent trans-ferulic acid (CHEBI:17620)
7-O-(6-feruoylglucosyl)isoorientin (CHEBI:75517) has functional parent isoorientin (CHEBI:17965)
7-O-(6-feruoylglucosyl)isoorientin (CHEBI:75517) has role metabolite (CHEBI:25212)
7-O-(6-feruoylglucosyl)isoorientin (CHEBI:75517) is a C-glycosyl compound (CHEBI:20857)
7-O-(6-feruoylglucosyl)isoorientin (CHEBI:75517) is a cinnamate ester (CHEBI:36087)
7-O-(6-feruoylglucosyl)isoorientin (CHEBI:75517) is a glycosyloxyflavone (CHEBI:50018)
7-O-(6-feruoylglucosyl)isoorientin (CHEBI:75517) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
(1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-({6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-D-glucopyranosyl}oxy)-4-oxo-4N-chromen-6-yl]-D-glucitol
Registry NumbersSources
Reaxys:9607762Reaxys