RefMet Compound Details

RefMet IDRM0136116
MW structure37877 (View MW Metabolite Database details)
RefMet namePhenylglyoxylic acid   Species distribution   Sample source distribution
Systematic name2-oxo-2-phenylacetic acid
SMILESc1ccc(cc1)C(=O)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass150.031695 (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
FormulaC8H6O3View other entries in RefMet with this formula
InChIInChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)
InChIKeyFAQJJMHZNSSFSM-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassPhenylacetic acids
Sub ClassPhenylacetic acids
Pubchem CID11915
ChEBI ID18280
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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