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CHEBI:46957 - 3-(2-hydroxyphenyl)propanoate
| Formula | C9H9O3 |
| Net Charge | -1 |
| Average Mass | 165.168 |
| Monoisotopic Mass | 165.05572 |
| SMILES | O=C([O-])CCc1ccccc1O |
| InChI | InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)/p-1 |
| InChIKey | CJBDUOMQLFKVQC-UHFFFAOYSA-M |
| Roles Classification |
|---|
| Biological Roles: | fungal xenobiotic metabolite Any fungal metabolite produced by metabolism of a xenobiotic compound in fungi. bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(2-hydroxyphenyl)propanoate (CHEBI:46957) has functional parent propionate (CHEBI:17272) |
| 3-(2-hydroxyphenyl)propanoate (CHEBI:46957) has role bacterial xenobiotic metabolite (CHEBI:76976) |
| 3-(2-hydroxyphenyl)propanoate (CHEBI:46957) has role fungal xenobiotic metabolite (CHEBI:76968) |
| 3-(2-hydroxyphenyl)propanoate (CHEBI:46957) has role human xenobiotic metabolite (CHEBI:76967) |
| 3-(2-hydroxyphenyl)propanoate (CHEBI:46957) has role plant metabolite (CHEBI:76924) |
| 3-(2-hydroxyphenyl)propanoate (CHEBI:46957) is a monocarboxylic acid anion (CHEBI:35757) |
| 3-(2-hydroxyphenyl)propanoate (CHEBI:46957) is conjugate base of 3-(2-hydroxyphenyl)propanoic acid (CHEBI:16104) |
| Incoming Relation(s) |
| 3-(2-hydroxyphenyl)propanoic acid (CHEBI:16104) is conjugate acid of 3-(2-hydroxyphenyl)propanoate (CHEBI:46957) |
| Synonyms | Source |
|---|---|
| 3-(2-Hydroxyphenyl)propionate | UM-BBD |
| 2-Hydroxyphenylpropanoate | KEGG COMPOUND |
| 3-(2-hydroxyphenyl)propanoate | MetaCyc |
| melilotate | MetaCyc |
| UniProt Name | Source |
|---|---|
| 3-(2-hydroxyphenyl)propanoate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| c0398 | UM-BBD |
| C01198 | KEGG COMPOUND |
| MELILOTATE | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3905812 | Reaxys |