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vanillylmandelic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_20106

An aromatic ether that is the 3-O-methyl ether of 3,4-dihydroxymandelic acid.

Term info

Label

vanillylmandelic acid

Synonyms
  • 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
  • Vanillylmandelic acid
database cross reference
Subsets

3_STAR

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

charge

0

formula

C9H10O5

has obo namespace

chebi_ontology

has related synonym

hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid, 3-methoxy-4-hydroxymandelic acid, Vanilmandelic acid

id

CHEBI:20106

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)

inchikey

CGQCWMIAEPEHNQ-UHFFFAOYSA-N

mass

198.17270

monoisotopicmass

198.05282

smiles

COc1cc(ccc1O)C(O)C(O)=O