Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 19:46:55 UTC
Update Date2022-08-12 20:09:17 UTC
Metabolite IDMMDBc0055232
Metabolite Identification
Common Name2-hydroxy-2-(4-hydroxyphenyl)acetic acid
Description4-Hydroxymandelate belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. Based on a literature review a significant number of articles have been published on 4-Hydroxymandelate.
Structure
Synonyms
ValueSource
2-Hydroxy-2-(4-hydroxyphenyl)acetateChEBI
2-Hydroxy-2-(4-hydroxyphenyl)acetic acidGenerator
4-Hydroxymandelic acidGenerator
Molecular FormulaC8H7O4
Average Mass167.141
Monoisotopic Mass167.034982285
IUPAC Name4-[carboxy(hydroxy)methyl]benzen-1-olate
Traditional Name4-[carboxy(hydroxy)methyl]benzenolate
CAS Registry NumberNot Available
SMILES
OC(C(O)=O)C1=CC=C([O-])C=C1
InChI Identifier
InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/p-1
InChI KeyYHXHKYRQLYQUIH-UHFFFAOYSA-M