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CHEBI:296881 - 3,4-dimethoxybenzoic acid
| Formula | C9H10O4 |
| Net Charge | 0 |
| Average Mass | 182.175 |
| Monoisotopic Mass | 182.05791 |
| SMILES | COc1ccc(C(=O)O)cc1OC |
| InChI | InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11) |
| InChIKey | DAUAQNGYDSHRET-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,4-dimethoxybenzoic acid (CHEBI:296881) has parent hydride benzoic acid (CHEBI:30746) |
| 3,4-dimethoxybenzoic acid (CHEBI:296881) has role allergen (CHEBI:50904) |
| 3,4-dimethoxybenzoic acid (CHEBI:296881) has role plant metabolite (CHEBI:76924) |
| 3,4-dimethoxybenzoic acid (CHEBI:296881) is a benzoic acids (CHEBI:22723) |
| Incoming Relation(s) |
| 3β-[(O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-17α-hydroxy-16β-[(O-(2-O-3,4-dimethoxybenzoyl-β-D-xylopyranosyl)-(1→3)-2-O-acetyl-α-L-arabinopyranosyl)oxy]cholest-5-en-22-one (CHEBI:65625) has functional parent 3,4-dimethoxybenzoic acid (CHEBI:296881) |
| 3β-[(O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-17α-hydroxy-16β-[(O-(2-O-3,4-dimethoxybenzoyl-β-D-xylopyranosyl)-(1→3)-2-O-acetyl-α-L-arabinopyranosyl)oxy]cholest-5-en-22-one (CHEBI:65623) has functional parent 3,4-dimethoxybenzoic acid (CHEBI:296881) |
| 3β-[(β-D-glucopyranosyl)oxy]-17α-hydroxy-16β-[(O-(2-O-3,4-dimethoxybenzoyl-β-D-xylopyranosyl)-(1→3)-2-O-acetyl-α-L-arabinopyranosyl)oxy]cholest-5-en-22-one (CHEBI:65621) has functional parent 3,4-dimethoxybenzoic acid (CHEBI:296881) |
| IUPAC Name |
|---|
| 3,4-dimethoxybenzoic acid |
| Synonyms | Source |
|---|---|
| 3,4-Dimethoxybenzoic acid | ChemIDplus |
| 3,4-Dimethylprotocatechuic acid | ChemIDplus |
| Dimethylprotocatechuic acid | ChemIDplus |
| Veratric acid | ChemIDplus |
| Veratrumenoic acid | NIST Chemistry WebBook |
| Veratrylic acid | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| HMDB0059763 | HMDB |
| LSM-19990 | LINCS |
| Citations |
|---|