RefMet Compound Details

MW structure44026 (View MW Metabolite Database details)
RefMet nameIndole-3-methyl acetate
Systematic namemethyl 2-(1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c[nH]c2ccccc12   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass189.078979 (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
FormulaC11H11NO2View other entries in RefMet with this formula
InChIKeyKTHADMDGDNYQRX-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassTryptophan alkaloids
Sub ClassIndoleacetic acids
Pubchem CID74706
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)