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
Supplier Information
Download Molfile XML SDF
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).
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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
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Last Modified
02 September 2014