RefMet Compound Details

MW structure	52332 (View MW Metabolite Database details)
RefMet name	Phenyllactic acid
Systematic name	2-hydroxy-3-phenylpropanoic acid
Canonical SMILES	OC(=O)[C@@H](O)Cc1ccccc1
Exact mass	166.0630	View other entries in RefMet with this exact mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C9H10O3	View other entries in RefMet with this formula
InChI	InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1
InChIKey	VOXXWSYKYCBWHO-QMMMGPOBSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Polyketides
Main Class	Phenylpropanoids
Sub class	Phenylpropanoic acids
Pubchem CID	444718