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CHEBI:66084 - irilone-4'-O-[β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside]

ChEBI IDCHEBI:66084
ChEBI Nameirilone-4'-O-[β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside]
Stars
ASCII Nameirilone-4'-O-[beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside]
DefinitionA glycosyloxyisoflavone that is irilone attached to a 6-O-β-D-glucopyranosyl-β-D-glucopyranosyl moiety at position 4' via a glycosidic linkage. Isolated from Iris pseudopumila, it exhibits antioxidant activity.
Last Modified20 August 2013
DownloadsMolfile
FormulaC28H30O16
Net Charge0
Average Mass622.532
Monoisotopic Mass622.15338
SMILESO=c1c(-c2ccc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2)coc2cc3c(c(O)c12)OCO3
InChIInChI=1S/C28H30O16/c29-6-15-19(31)22(34)24(36)27(43-15)39-8-16-20(32)23(35)25(37)28(44-16)42-11-3-1-10(2-4-11)12-7-38-13-5-14-26(41-9-40-14)21(33)17(13)18(12)30/h1-5,7,15-16,19-20,22-25,27-29,31-37H,6,8-9H2/t15-,16-,19-,20-,22+,23+,24-,25-,27-,28-/m1/s1
InChIKeyMRXZOZKDGKQEMG-SKLZQIAYSA-N
Species of MetaboliteComponentSourceComments
Iris pseudopumila (IPNI:438994-1) rhizome (BTO:0001181) PubMed (17315314)
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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)
irilone-4'-O-[β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside] (CHEBI:66084) has functional parent irilone (CHEBI:5970)
irilone-4'-O-[β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside] (CHEBI:66084) has role antioxidant (CHEBI:22586)
irilone-4'-O-[β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside] (CHEBI:66084) has role metabolite (CHEBI:25212)
irilone-4'-O-[β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside] (CHEBI:66084) is a disaccharide derivative (CHEBI:63353)
irilone-4'-O-[β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside] (CHEBI:66084) is a glycosyloxyisoflavone (CHEBI:74630)
irilone-4'-O-[β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside] (CHEBI:66084) is a hydroxyisoflavone (CHEBI:38755)
IUPAC Name 
4-(9-hydroxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-7-yl)phenyl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside
Registry NumbersSources
Reaxys:11109928Reaxys
Citations