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CHEBI:69013 - alphitonin

ChEBI IDCHEBI:69013
ChEBI Namealphitonin
Stars
DefinitionA hydroxyaurone that is aurone substituted by hydroxy groups at positions 2, 4, 6, 3' and 4' respectively. It has been isolated from Alphitonia excelsa.
Last Modified9 June 2015
DownloadsMolfile
FormulaC15H12O7
Net Charge0
Average Mass304.254
Monoisotopic Mass304.05830
SMILESO=C1c2c(O)cc(O)cc2OC1(O)Cc1ccc(O)c(O)c1
InChIInChI=1S/C15H12O7/c16-8-4-11(19)13-12(5-8)22-15(21,14(13)20)6-7-1-2-9(17)10(18)3-7/h1-5,16-19,21H,6H2
InChIKeyVCLACNNZBMRRES-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alphitonia excelsa (ncbitaxon:106658) xylem (BTO:0001468) PubMed (21992235) Previous component: wood;
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)
alphitonin (CHEBI:69013) has functional parent aurone (CHEBI:47964)
alphitonin (CHEBI:69013) has role plant metabolite (CHEBI:76924)
alphitonin (CHEBI:69013) is a hydroxyaurone (CHEBI:85970)
IUPAC Name 
2-[(3,4-dihydroxyphenyl)methyl]-2,4,6-trihydroxy-1-benzofuran-3(2H)-one
Manual XrefsDatabases
LMPK12130073LIPID MAPS
Registry NumbersSources
Reaxys:312492Reaxys
Citations