RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0128490
RefMet nameFraxetin
Systematic name7,8-dihydroxy-6-methoxy-chromen-2-one
SynonymsPubChem Synonyms
Exact mass208.037173 (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
FormulaC10H8O5View other entries in RefMet with this formula
Molecular descriptors
Molfile70090 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3
InChIKeyHAVWRBANWNTOJX-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCOc1cc2ccc(=O)oc2c(c1O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassPolyketides
Main ClassFlavonoids
Sub ClassCoumarins
Distribution of Fraxetin in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Fraxetin
External Links
Pubchem CID5273569
ChEBI ID5169
KEGG IDC09265
EPA CompToxDTXCID30128483
Spectral data for Fraxetin standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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