CHEBI:69013 - alphitonin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name alphitonin
ChEBI ID CHEBI:69013
Definition A hydroxyaurone that is aurone substituted by hydroxy groups at positions 2, 4, 6, 3' and 4' respectively. It has been isolated from Alphitonia excelsa.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C15H12O7
Net Charge 0
Average Mass 304.25160
Monoisotopic Mass 304.05830
InChI InChI=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
InChIKey VCLACNNZBMRRES-UHFFFAOYSA-N
SMILES Oc1cc2OC(O)(Cc3ccc(O)c(O)c3)C(=O)c2c(O)c1
Metabolite of Species Details
Alphitonia excelsa (NCBI:txid106658) Found in xylem (BTO:0001468). Previous component: wood; 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 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 Xref Database
LMPK12130073 LIPID MAPS
View more database links
Registry Number Type Source
312492 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21992235 PubMed citation Europe PMC
Last Modified
09 June 2015