CHEBI:5963 - iridin

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ChEBI Name iridin
ChEBI ID CHEBI:5963
Definition A glycosyloxyisoflavone that is irigenin substituted by a β-D-glucopyranosyl residue at position 7 via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H26O13
Net Charge 0
Average Mass 522.45540
Monoisotopic Mass 522.13734
InChI InChI=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
InChIKey LNQCUTNLHUQZLR-OZJWLQQPSA-N
SMILES COc1cc(cc(O)c1OC)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c(O)c2c1=O
Metabolite of Species Details
Iris germanica (NCBI:txid34205) Found in rhizome (BTO:0001181). See: PubMed
Iris domestica (NCBI:txid58944) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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 Sources
irigenin 7-O-β-D-glucopyranoside ChEBI
irigenin 7-O-glucoside KNApSAcK
Manual Xrefs Databases
C00010137 KNApSAcK
C10465 KEGG COMPOUND
Iridin Wikipedia
LMPK12050415 LIPID MAPS
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Registry Numbers Types Sources
491-74-7 CAS Registry Number KEGG COMPOUND
491-74-7 CAS Registry Number ChemIDplus
71893 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21465599 PubMed citation Europe PMC
22388969 PubMed citation Europe PMC
25204177 PubMed citation Europe PMC
Last Modified
03 March 2018