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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:25147 - mandelate
Main
ChEBI Ontology
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ChEBI Name
mandelate
ChEBI ID
CHEBI:25147
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H7O3
Net Charge
-1
Average Mass
151.13938
Monoisotopic Mass
151.04007
InChI
InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/p-1
InChIKey
IWYDHOAUDWTVEP-UHFFFAOYSA-M
SMILES
OC(C([O-])=O)c1ccccc1
ChEBI Ontology
Outgoing
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
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
Sources
2-hydroxy-2-(4-hydroxyphenyl)acetate
ChEBI
α-hydroxybenzeneacetate
ChEBI
α-hydroxybenzeneacetic acid, ion(1−)
ChemIDplus
mandelate
UniProt
mandelate ion
ChemIDplus
Registry Numbers
Types
Sources
328159
Gmelin Registry Number
Gmelin
3905858
Beilstein Registry Number
Beilstein
4135334
Beilstein Registry Number
Beilstein
769-61-9
CAS Registry Number
ChemIDplus
Last Modified
28 September 2021