CHEBI:5973 - irisxanthone

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ChEBI Name irisxanthone
ChEBI ID CHEBI:5973
Definition A C-glycosyl compound that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 6, a methoxy group at position 5 and a β-D-glucopyranosyl residue at position 1 via a C-glycosyl linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H20O11
Net Charge 0
Average Mass 436.36620
Monoisotopic Mass 436.10056
InChI InChI=1S/C20H20O11/c1-29-19-7(22)3-2-6-13(24)12-9(30-18(6)19)4-8(23)11(15(12)26)20-17(28)16(27)14(25)10(5-21)31-20/h2-4,10,14,16-17,20-23,25-28H,5H2,1H3/t10-,14-,16+,17-,20+/m1/s1
InChIKey MTQVPZUZBBTLNO-HSLVGEKZSA-N
SMILES COc1c(O)ccc2c1oc1cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c1c2=O
Metabolite of Species Details
Iris germanica (NCBI:txid34205) Found in rhizome (BTO:0001181). 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing irisxanthone (CHEBI:5973) has role plant metabolite (CHEBI:76924)
irisxanthone (CHEBI:5973) is a C-glycosyl compound (CHEBI:20857)
irisxanthone (CHEBI:5973) is a aromatic ether (CHEBI:35618)
irisxanthone (CHEBI:5973) is a polyphenol (CHEBI:26195)
irisxanthone (CHEBI:5973) is a xanthones (CHEBI:51149)
IUPAC Name
(1S)-1,5-anhydro-1-(1,3,6-trihydroxy-5-methoxy-9-oxo-9H-xanthen-2-yl)-D-glucitol
Manual Xrefs Databases
C00002955 KNApSAcK
C10067 KEGG COMPOUND
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Registry Numbers Types Sources
1413076 Reaxys Registry Number Reaxys
51419-56-8 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
25204177 PubMed citation Europe PMC
Last Modified
03 October 2014