RefMet Compound Details

MW structure44025 (View MW Metabolite Database details)
RefMet name1H-Indole-3-carboxaldehyde
Systematic name1H-indole-3-carbaldehyde
SMILESc1ccc2c(c1)c(c[nH]2)C=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass145.052764 (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
FormulaC9H7NOView other entries in RefMet with this formula
InChIKeyOLNJUISKUQQNIM-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassTryptophan alkaloids
Sub ClassSimple indole alkaloids
Pubchem CID10256
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)