methyl vanillate (CHEBI:46477)

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ChEBI Name	methyl vanillate

ChEBI ID	CHEBI:46477

Definition	A benzoate ester that is the methyl ester of vanillic acid.

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

Supplier Information

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Formula

C9H10O4

Net Charge

Average Mass

182.17330

Monoisotopic Mass

182.05791

InChI

InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3

InChIKey

BVWTXUYLKBHMOX-UHFFFAOYSA-N

SMILES

COC(=O)c1ccc(O)c(OC)c1

Roles Classification
Chemical Role(s):	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.

Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	methyl vanillate (CHEBI:46477) has functional parent vanillic acid (CHEBI:30816) methyl vanillate (CHEBI:46477) has role antioxidant (CHEBI:22586) methyl vanillate (CHEBI:46477) has role plant metabolite (CHEBI:76924) methyl vanillate (CHEBI:46477) is a aromatic ether (CHEBI:35618) methyl vanillate (CHEBI:46477) is a benzoate ester (CHEBI:36054) methyl vanillate (CHEBI:46477) is a phenols (CHEBI:33853)

Incoming	methyl 4-acetoxy-3-methoxybenzoate (CHEBI:86557) has functional parent methyl vanillate (CHEBI:46477)

IUPAC Name

methyl 4-hydroxy-3-methoxybenzoate

Synonyms	Sources
4-Hydroxy-3-methoxybenzoic acid methyl ester	ChemIDplus
Methyl 3-methoxy-4-hydroxybenzoate	ChemIDplus
Methyl Vanillic Acid	ChEBI
VANILLATE	PDBeChem
Vanillic acid, methyl ester	ChemIDplus

Citation	Type	Source
22313772	PubMed citation	Europe PMC

Last Modified

01 September 2017