RefMet Compound Details

MW structure87119 (View MW Metabolite Database details)
RefMet name2-Oxindole-3-acetate
Systematic name2-(2-oxoindolin-3-yl)acetic acid
SMILESO=C(O)CC1C(=O)Nc2ccccc21   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass191.058244 (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
FormulaC10H9NO3View other entries in RefMet with this formula
InChIInChI=1S/C10H9NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4,7H,5H2,(H,11,14)(H,12,13)
InChIKeyILGMGHZPXRDCCS-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassTryptophan alkaloids
Sub ClassIndolecarboxylic acids
Pubchem CID3080590
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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