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CHEBI:9024 - santin

ChEBI IDCHEBI:9024
ChEBI Namesantin
Stars
DefinitionA trimethoxyflavone that is flavone substituted by methoxy groups at positions 3, 6 and 4' and hydroxy groups at positions 5 and 7 respectively.
Last Modified5 June 2015
DownloadsMolfile
FormulaC18H16O7
Net Charge0
Average Mass344.319
Monoisotopic Mass344.08960
SMILESCOc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1
InChIInChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3
InChIKeyDWZAJFZEYZIHPO-UHFFFAOYSA-N
Wikipedia
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)
santin (CHEBI:9024) has functional parent flavone (CHEBI:42491)
santin (CHEBI:9024) has role plant metabolite (CHEBI:76924)
santin (CHEBI:9024) is a dihydroxyflavone (CHEBI:38686)
santin (CHEBI:9024) is a trimethoxyflavone (CHEBI:27124)
IUPAC Name 
5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Synonym  Source
5,7-dihydroxy-3,6,4'-trimethoxy flavoneChEBI
Manual XrefsDatabases
C10180KEGG COMPOUND
C00001096KNApSAcK
LMPK12112861LIPID MAPS
Santin_(flavonol)Wikipedia
Registry NumbersSources
Reaxys:1355698Reaxys
CAS:27782-63-4KEGG COMPOUND