RefMet Compound Details

MW structure56359 (View MW Metabolite Database details)
RefMet name4-Hydroxycoumarin
Systematic name4-hydroxy-2H-chromen-2-one
SMILESc1ccc2c(c1)c(cc(=O)o2)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass162.031695 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC9H6O3View other entries in RefMet with this formula
InChIInChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
InChIKeyVXIXUWQIVKSKSA-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassFlavonoids
Sub ClassCoumarins
Pubchem CID54682930
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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