CHEBI:46477 - methyl vanillate

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ChEBI Name methyl vanillate
Definition A benzoate ester that is the methyl ester of vanillic acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C9H10O4
Net Charge 0
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
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.
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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)
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
Vanillic acid, methyl ester ChemIDplus
Manual Xref Database
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Registry Numbers Types Sources
1369113 Reaxys Registry Number Reaxys
1369113 Beilstein Registry Number Beilstein
3943-74-6 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22313772 PubMed citation Europe PMC
Last Modified
01 September 2017