RefMet Compound Details

RefMet IDRM0038757
MW structure56469 (View MW Metabolite Database details)
RefMet nameFlaviolin
Systematic name2,5,7-trihydroxynaphthalene-1,4-dione
SMILESc1c(cc(c2c1C(=O)C(=CC2=O)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass206.021525 (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
FormulaC10H6O5View other entries in RefMet with this formula
InChIInChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-12,14H
InChIKeyRROPNRTUMVVUED-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassAromatic polyketides
Sub ClassNaphthalenes and naphthoquinones
Pubchem CID160478
ChEBI ID42646
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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