EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C10H11O4 |
| Net Charge | -1 |
| Average Mass | 195.194 |
| Monoisotopic Mass | 195.06628 |
| SMILES | COc1cc(CCC(=O)[O-])ccc1O |
| InChI | InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)/p-1 |
| InChIKey | BOLQJTPHPSDZHR-UHFFFAOYSA-M |
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dihydroferulate (CHEBI:133751) has role antioxidant (CHEBI:22586) |
| dihydroferulate (CHEBI:133751) has role human xenobiotic metabolite (CHEBI:76967) |
| dihydroferulate (CHEBI:133751) has role mouse metabolite (CHEBI:75771) |
| dihydroferulate (CHEBI:133751) has role plant metabolite (CHEBI:76924) |
| dihydroferulate (CHEBI:133751) is a monocarboxylic acid anion (CHEBI:35757) |
| dihydroferulate (CHEBI:133751) is conjugate base of dihydroferulic acid (CHEBI:86612) |
| Incoming Relation(s) |
| dihydroferulic acid (CHEBI:86612) is conjugate acid of dihydroferulate (CHEBI:133751) |
| IUPAC Name |
|---|
| 3-(4-hydroxy-3-methoxyphenyl)propanoate |
| Synonyms | Source |
|---|---|
| dihydroconiferylate | ChEBI |
| 3-(4-hydroxy-3-methoxyphenyl)propionate | ChEBI |
| UniProt Name | Source |
|---|---|
| dihydroferulate | UniProt |