vanillylmandelic acid (CHEBI:20106)

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ChEBI Name	vanillylmandelic acid

ChEBI ID	CHEBI:20106

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

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ZINC000003869266

Download	Molfile XML SDF

Wikipedia	License
[object Object]
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Formula

C9H10O5

Net Charge

Average Mass

198.17270

Monoisotopic Mass

198.05282

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

SMILES

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

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology
Outgoing	vanillylmandelic acid (CHEBI:20106) has functional parent mandelic acid (CHEBI:35825) vanillylmandelic acid (CHEBI:20106) has role human metabolite (CHEBI:77746) vanillylmandelic acid (CHEBI:20106) is a 2-hydroxy monocarboxylic acid (CHEBI:49302) vanillylmandelic acid (CHEBI:20106) is a aromatic ether (CHEBI:35618) vanillylmandelic acid (CHEBI:20106) is a phenols (CHEBI:33853) vanillylmandelic acid (CHEBI:20106) is conjugate acid of vanillylmandelate (CHEBI:27622)

Incoming	vanillylmandelate (CHEBI:27622) is conjugate base of vanillylmandelic acid (CHEBI:20106)

IUPAC Name

2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid

Synonyms	Sources
3-methoxy-4-hydroxymandelic acid	ChEBI
hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid	IUPAC
Vanillylmandelic acid	KEGG COMPOUND
Vanilmandelic acid	ChemIDplus

Last Modified

23 October 2015