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vanillylmandelate

Go to external page http://purl.obolibrary.org/obo/CHEBI_27622

A hydroxy monocarboxylic acid anion that is the conjugate base of vanillylmandelic acid.

Term info

Label

vanillylmandelate

Synonyms
  • 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate
database cross reference
Subsets

3_STAR

IUPAC NAME
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate [ IUPAC ]

charge

-1

formula

C9H9O5

has alternative id

CHEBI:20105, CHEBI:1573

has obo namespace

chebi_ontology

has related synonym

3-Methoxy-4-hydroxymandelate, vanilmandelate

id

CHEBI:27622

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

mass

197.16480

monoisotopicmass

197.04555

smiles

COc1cc(ccc1O)C(O)C([O-])=O