RefMet Compound Details

MW structure58888 (View MW Metabolite Database details)
RefMet nameIndolelactic acid
Systematic name2-hydroxy-3-(1H-indol-3-yl)propanoic acid
SMILESc1ccc2c(c1)c(C[C@H](C(=O)O)O)c[nH]2   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass205.073894 (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
FormulaC11H11NO3View other entries in RefMet with this formula
InChIKeyXGILAAMKEQUXLS-SNVBAGLBSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassTryptophan alkaloids
Sub ClassIndolecarboxylic acids
Pubchem CID676158
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)