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CHEBI:46477 - methyl vanillate
| Formula | C9H10O4 |
| Net Charge | 0 |
| Average Mass | 182.175 |
| Monoisotopic Mass | 182.05791 |
| SMILES | COC(=O)c1ccc(O)c(OC)c1 |
| 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 |
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Role: | 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 Relation(s) |
| 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 Relation(s) |
| methyl 4-acetoxy-3-methoxybenzoate (CHEBI:86557) has functional parent methyl vanillate (CHEBI:46477) |
| IUPAC Name |
|---|
| methyl 4-hydroxy-3-methoxybenzoate |
| Synonyms | Source |
|---|---|
| 4-Hydroxy-3-methoxybenzoic acid methyl ester | ChemIDplus |
| methyl 3-methoxy-4-hydroxybenzoate | ChemIDplus |
| methyl vanillic acid | ChEBI |
| Vanillic acid, methyl ester | ChemIDplus |
| Citations |
|---|