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CHEBI:16632 - vanillate
| Formula | C8H7O4 |
| Net Charge | -1 |
| Average Mass | 167.140 |
| Monoisotopic Mass | 167.03498 |
| SMILES | COc1cc(C(=O)[O-])ccc1O |
| InChI | InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1 |
| InChIKey | WKOLLVMJNQIZCI-UHFFFAOYSA-M |
| Roles Classification |
|---|
| 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) |
| vanillate (CHEBI:16632) has role plant metabolite (CHEBI:76924) |
| vanillate (CHEBI:16632) is a methoxybenzoate (CHEBI:25236) |
| vanillate (CHEBI:16632) is a monohydroxybenzoate (CHEBI:25388) |
| vanillate (CHEBI:16632) is conjugate base of vanillic acid (CHEBI:30816) |
| Incoming Relation(s) |
| sodium vanillate (CHEBI:132748) has part vanillate (CHEBI:16632) |
| vanillic acid (CHEBI:30816) is conjugate acid of vanillate (CHEBI:16632) |
| IUPAC Name |
|---|
| 4-hydroxy-3-methoxybenzoate |
| Synonym | Source |
|---|---|
| 4-HYDROXY-3-METHOXYBENZOATE | PDBeChem |
| UniProt Name | Source |
|---|---|
| vanillate | UniProt |