3-Phenyllactic acid

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Systematic / IUPAC Name: 2-Hydroxy-3-phenylpropanoic acid

ID: Reference311

Other Names: β-Phenyllactic acid;
Lactic acid, 3-phenyl-;
2-Hydroxy-3-phenylpropionic acid;
Benzenepropanoic acid, α-hydroxy-;
3-Phenyl-2-hydroxypropanoic acid

Formula: C9H10O3

Class: Endogenous Metabolites

Spectral Data

3-Phenyllactic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 319
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 10/11/2016 8:10:08 AM
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Identificators

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)
InChI Key VOXXWSYKYCBWHO-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)CC(C(=O)O)O
CAS 828013
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Other Names β-Phenyllactic acid;
Lactic acid, 3-phenyl-;
2-Hydroxy-3-phenylpropionic acid;
Benzenepropanoic acid, α-hydroxy-;
3-Phenyl-2-hydroxypropanoic acid;
α-Hydroxybenzenepropanoic acid

In Other Databases

PubChem 3848
HMDb HMDB00563; HMDB00779
ChemIDPlus 000828013; 020312361; 007326194; 082429967; 057618254; 085391157; 079428016
KEGG C05607
ChEMBL CHEMBL1778420
ChemSpider 3715
ChEBI CHEBI:25998