RefMet Compound Details

MW structure38084 (View MW Metabolite Database details)
RefMet name3-Methylphenylacetic acid
Systematic name2-(3-methylphenyl)acetic acid
SMILESCc1cccc(c1)CC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass150.068080 (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
FormulaC9H10O2View other entries in RefMet with this formula
InChIKeyGJMPSRSMBJLKKB-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassPhenylpropanoids
Sub ClassCinnamic acids
Pubchem CID12121
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)