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CHEBI:5982 - isoathyriol

ChEBI IDCHEBI:5982
ChEBI Nameisoathyriol
Stars
DefinitionA member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 7 and a methoxy group at position 6.
Last Modified3 October 2014
DownloadsMolfile
FormulaC14H10O6
Net Charge0
Average Mass274.228
Monoisotopic Mass274.04774
SMILESCOc1cc2oc3cc(O)cc(O)c3c(=O)c2cc1O
InChIInChI=1S/C14H10O6/c1-19-11-5-10-7(4-8(11)16)14(18)13-9(17)2-6(15)3-12(13)20-10/h2-5,15-17H,1H3
InChIKeyDHIJSMOHBJPOJU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rhachidosorus mesosorus (ncbitaxon:65707) - Article (Phytochemical Dictionary: A Handbook of Bioactive Compounds from Plants)
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)
isoathyriol (CHEBI:5982) has role plant metabolite (CHEBI:76924)
isoathyriol (CHEBI:5982) is a aromatic ether (CHEBI:35618)
isoathyriol (CHEBI:5982) is a polyphenol (CHEBI:26195)
isoathyriol (CHEBI:5982) is a xanthones (CHEBI:51149)
IUPAC Name 
1,3,7-trihydroxy-6-methoxy-9H-xanthen-9-one
Synonym  Source
6-Methoxy-1,3,7-trihydroxyxanthoneKEGG COMPOUND
Manual XrefsDatabases
C10069KEGG COMPOUND
C00002956KNApSAcK
Registry NumbersSources
Reaxys:279200Reaxys
CAS:59092-97-6KEGG COMPOUND