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CHEBI:25147 - mandelate

ChEBI IDCHEBI:25147
ChEBI Namemandelate
Stars
Last Modified28 September 2021
DownloadsMolfile
FormulaC8H7O3
Net Charge-1
Average Mass151.141
Monoisotopic Mass151.04007
SMILESO=C([O-])C(O)c1ccccc1
InChIInChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/p-1
InChIKeyIWYDHOAUDWTVEP-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
mandelate (CHEBI:25147) has functional parent acetate (CHEBI:30089)
mandelate (CHEBI:25147) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
mandelate (CHEBI:25147) is conjugate base of mandelic acid (CHEBI:35825)
Incoming Relation(s)
4-hydroxymandelate (CHEBI:32804) has functional parent mandelate (CHEBI:25147)
vanillylmandelate (CHEBI:27622) has functional parent mandelate (CHEBI:25147)
(R)-mandelate (CHEBI:32382) is a mandelate (CHEBI:25147)
(S)-mandelate (CHEBI:17756) is a mandelate (CHEBI:25147)
mandelic acid (CHEBI:35825) is conjugate acid of mandelate (CHEBI:25147)
IUPAC Name 
hydroxy(phenyl)acetate
Synonyms  Source
2-hydroxy-2-(4-hydroxyphenyl)acetateChEBI
α-hydroxybenzeneacetic acid, ion(1−)ChemIDplus
mandelate ionChemIDplus
α-hydroxybenzeneacetateChEBI
UniProt Name  Source
mandelateUniProt
Registry NumbersSources
Gmelin:328159Gmelin
Beilstein:4135334Beilstein
Beilstein:3905858Beilstein
CAS:769-61-9ChemIDplus