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CHEBI:9131 - sexangularetin

ChEBI IDCHEBI:9131
ChEBI Namesexangularetin
Stars
DefinitionA 7-hydroxyflavonol that is kaempferol substituted by a methoxy group at position 8.
Last Modified4 June 2015
DownloadsMolfile
FormulaC16H12O7
Net Charge0
Average Mass316.265
Monoisotopic Mass316.05830
SMILESCOc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12
InChIInChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3
InChIKeyAZFYHRHUTXBGJS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sorbus aria (ncbitaxon:186520) - PubMed (18635332)
Sorbus intermedia (ncbitaxon:691236) - PubMed (18635332)
Sorbus aucuparia (ncbitaxon:36599) - PubMed (18635332)
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)
sexangularetin (CHEBI:9131) has functional parent kaempferol (CHEBI:28499)
sexangularetin (CHEBI:9131) has role plant metabolite (CHEBI:76924)
sexangularetin (CHEBI:9131) is a 7-hydroxyflavonol (CHEBI:52267)
sexangularetin (CHEBI:9131) is a monomethoxyflavone (CHEBI:25401)
sexangularetin (CHEBI:9131) is a tetrahydroxyflavone (CHEBI:38684)
IUPAC Name 
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-1-benzopyran-4-one
Synonyms  Source
Herbacetin 8-methyl etherKEGG COMPOUND
8-methoxykaempferolChEBI
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-chromen-4-oneChEBI
3,5,7,4'-tetrahydroxy-8-methoxyflavoneChEBI
Manual XrefsDatabases
C10185KEGG COMPOUND
C00001100KNApSAcK
LMPK12113150LIPID MAPS
Registry NumbersSources
Reaxys:324815Reaxys
CAS:571-74-4KEGG COMPOUND
CAS:571-74-4ChemIDplus
Citations