4-Hydroxymandelic acid

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Systematic / IUPAC Name: 2-Hydroxy-2-(4-hydroxyphenyl)acetic acid

ID: Reference237

Other Names: 4-Hydroxyphenylglycolic acid;
p-Hydroxymandelic acid;
4-Hydroxymandelate;
Hydroxy(4-hydroxyphenyl)acetic acid;
Mandelic acid, p-hydroxy- ; more

Formula: C8H8O4

Class: Endogenous Metabolites

Spectral Data

4-Hydroxymandelic 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
No. of Spectral Trees 1
No. of Spectra 166
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/27/2014 9:19:38 AM
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Identificators

InChI InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)
InChI Key YHXHKYRQLYQUIH-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC=C1C(C(=O)O)O)O
CAS 1198841
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Other Names 4-Hydroxyphenylglycolic acid;
p-Hydroxymandelic acid;
4-Hydroxymandelate;
Hydroxy(4-hydroxyphenyl)acetic acid;
Mandelic acid, p-hydroxy-;
p-Hydroxyphenylglycolic acid;
2-(4-Hydroxyphenyl)-2-hydroxyacetate;
2-(4-Hydroxyphenyl)-2-hydroxyacetic acid

In Other Databases

ChEBI CHEBI:16388
Wikipedia 4-Hydroxymandelic acid
ChemIDPlus 001198841; 007198109; 069322016; 070013615
ChemSpider 321
HMDb HMDB00822; HMDB00822
ChEMBL CHEMBL2087618
PubChem 328
KEGG C11527