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CHEBI:27622 - vanillylmandelate
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ChEBI Name
vanillylmandelate
ChEBI ID
CHEBI:27622
Definition
A hydroxy monocarboxylic acid anion that is the conjugate base of vanillylmandelic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1573, CHEBI:20105
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Formula
C9H9O5
Net Charge
-1
Average Mass
197.16480
Monoisotopic Mass
197.04555
InChI
InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/p-1
InChIKey
CGQCWMIAEPEHNQ-UHFFFAOYSA-M
SMILES
COc1cc(ccc1O)C(O)C([O-])=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
vanillylmandelate (
CHEBI:27622
)
has functional parent
mandelate (
CHEBI:25147
)
vanillylmandelate (
CHEBI:27622
)
has role
human metabolite (
CHEBI:77746
)
vanillylmandelate (
CHEBI:27622
)
is a
hydroxy monocarboxylic acid anion (
CHEBI:36059
)
vanillylmandelate (
CHEBI:27622
)
is conjugate base of
vanillylmandelic acid (
CHEBI:20106
)
Incoming
vanillylmandelic acid (
CHEBI:20106
)
is conjugate acid of
vanillylmandelate (
CHEBI:27622
)
IUPAC Name
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate
Synonyms
Sources
3-Methoxy-4-hydroxymandelate
KEGG COMPOUND
vanilmandelate
ChEBI
Manual Xref
Database
C05584
KEGG COMPOUND
View more database links
Last Modified
02 September 2014