RefMet Compound Details

RefMet IDRM0007259
MW structure46314 (View MW Metabolite Database details)
RefMet nameEthyl benzoate
Systematic nameethyl benzoate
SMILESCCOC(=O)c1ccccc1   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
InChIInChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyMTZQAGJQAFMTAQ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassHydroxybenzoic acids
Pubchem CID7165
ChEBI ID156074
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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