RefMet Compound Details

MW structure37398 (View MW Metabolite Database details)
RefMet nameIndole
Systematic name1H-indole
SMILESc1ccc2c(c1)cc[nH]2   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass117.057849 (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
FormulaC8H7NView other entries in RefMet with this formula
InChIKeySIKJAQJRHWYJAI-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassTryptophan alkaloids
Sub ClassSimple indole alkaloids
Pubchem CID798
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)