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CHEBI:5963 - iridin

ChEBI IDCHEBI:5963
ChEBI Nameiridin
Stars
DefinitionA glycosyloxyisoflavone that is irigenin substituted by a β-D-glucopyranosyl residue at position 7 via a glycosidic linkage.
Last Modified3 March 2018
DownloadsMolfile
FormulaC24H26O13
Net Charge0
Average Mass522.459
Monoisotopic Mass522.13734
SMILESCOc1cc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c2=O)cc(O)c1OC
InChIInChI=1S/C24H26O13/c1-32-13-5-9(4-11(26)22(13)33-2)10-8-35-12-6-14(23(34-3)19(29)16(12)17(10)27)36-24-21(31)20(30)18(28)15(7-25)37-24/h4-6,8,15,18,20-21,24-26,28-31H,7H2,1-3H3/t15-,18-,20+,21-,24-/m1/s1
InChIKeyLNQCUTNLHUQZLR-OZJWLQQPSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Iris germanica (ncbitaxon:34205) rhizome (BTO:0001181) PubMed (22388969)
Iris domestica (ncbitaxon:58944) - PubMed (21465599)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
iridin (CHEBI:5963) has functional parent irigenin (CHEBI:81409)
iridin (CHEBI:5963) has role plant metabolite (CHEBI:76924)
iridin (CHEBI:5963) is a 4'-methoxyisoflavones (CHEBI:133959)
iridin (CHEBI:5963) is a 7-hydroxyisoflavones 7-O-β-D-glucoside (CHEBI:140301)
iridin (CHEBI:5963) is a hydroxyisoflavone (CHEBI:38755)
iridin (CHEBI:5963) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name 
5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranoside
Synonyms  Source
irigenin 7-O-glucosideKNApSAcK
irigenin 7-O-β-D-glucopyranosideChEBI
Manual XrefsDatabases
C10465KEGG COMPOUND
C00010137KNApSAcK
IridinWikipedia
LMPK12050415LIPID MAPS
Registry NumbersSources
Reaxys:71893Reaxys
CAS:491-74-7KEGG COMPOUND
CAS:491-74-7ChemIDplus
Citations