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CHEBI:9582 - thymonin

ChEBI IDCHEBI:9582
ChEBI Namethymonin
Stars
DefinitionA trimethoxyflavone that is flavone substituted by methoxy groups at positions 7, 8 and 3' and hydroxy groups at positions 5, 6 and 4'.
Last Modified16 October 2014
DownloadsMolfile
FormulaC18H16O8
Net Charge0
Average Mass360.318
Monoisotopic Mass360.08452
SMILESCOc1cc(-c2cc(=O)c3c(O)c(O)c(OC)c(OC)c3o2)ccc1O
InChIInChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)11-7-10(20)13-14(21)15(22)17(24-2)18(25-3)16(13)26-11/h4-7,19,21-22H,1-3H3
InChIKeyBAIRXMVFPKLWSE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mentha spicata (ncbitaxon:29719) - PubMed (12776552)
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)
thymonin (CHEBI:9582) has functional parent flavone (CHEBI:42491)
thymonin (CHEBI:9582) has role plant metabolite (CHEBI:76924)
thymonin (CHEBI:9582) is a trihydroxyflavone (CHEBI:27116)
thymonin (CHEBI:9582) is a trimethoxyflavone (CHEBI:27124)
IUPAC Name 
5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7,8-dimethoxy-4H-chromen-4-one
Synonyms  Source
MajoraninKNApSAcK
5,6,4'-trihydroxy-7,8,3'-trimethoxyflavoneChEBI
Mucroflavone BKNApSAcK
5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-oneChEBI
Manual XrefsDatabases
C10191KEGG COMPOUND
C00003931KNApSAcK
LMPK12111474LIPID MAPS
HMDB0037334HMDB
Registry NumbersSources
Reaxys:5149201Reaxys
CAS:76844-67-2KEGG COMPOUND
Citations