RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0135254
RefMet nameAyanin
Systematic name5,3'-Dihydroxy-3,7,4'-trimethoxyflavone
SynonymsPubChem Synonyms
Exact mass344.089605 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC18H16O7View other entries in RefMet with this formula
Molecular descriptors
Molfile25845 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3
InChIKeyKPCRYSMUMBNTCK-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCOc1cc(c2c(c1)oc(c1ccc(c(c1)O)OC)c(c2=O)OC)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassPolyketides
Main ClassFlavonoids
Sub ClassFlavones and Flavonols
Distribution of Ayanin in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Ayanin
External Links
Pubchem CID5280682
LIPID MAPSLMPK12112762
ChEBI ID27825
KEGG IDC04444
MetaCyc IDCPD-10510
EPA CompToxDTXCID50128324
Spectral data for Ayanin standards
NP-MRD ID(NMR)View NMR spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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