RefMet Compound Details

RefMet IDRM0043516
MW structure52717 (View MW Metabolite Database details)
RefMet name3-Amino-4,7-dihydroxy-8-methylcoumarin
Systematic name3-amino-4,7-dihydroxy-8-methyl-2H-chromen-2-one
SMILESCc1c(ccc2c(c(c(=O)oc12)N)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass207.053159 (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
FormulaC10H9NO4View other entries in RefMet with this formula
InChIInChI=1S/C10H9NO4/c1-4-6(12)3-2-5-8(13)7(11)10(14)15-9(4)5/h2-3,12-13H,11H2,1H3
InChIKeyRYDWGVPXXFYEQD-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassFlavonoids
Sub ClassCoumarins
Pubchem CID54691342
ChEBI ID74154
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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