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CHEBI:32980 - phloretic acid
| Formula | C9H10O3 |
| Net Charge | 0 |
| Average Mass | 166.176 |
| Monoisotopic Mass | 166.06299 |
| SMILES | O=C(O)CCc1ccc(O)cc1 |
| InChI | InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12) |
| InChIKey | NMHMNPHRMNGLLB-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Lepisorus contortus (ncbitaxon:699669) | whole plant (BTO:0001461) | PubMed (21261296) | 95% EtOH extract of air-dried, powdered whole plant |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| 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) |
| phloretic acid (CHEBI:32980) has functional parent propionic acid (CHEBI:30768) |
| phloretic acid (CHEBI:32980) has role plant metabolite (CHEBI:76924) |
| phloretic acid (CHEBI:32980) is a hydroxy monocarboxylic acid (CHEBI:35868) |
| phloretic acid (CHEBI:32980) is conjugate acid of phloretate (CHEBI:16331) |
| Incoming Relation(s) |
| methyl 3-(4-hydroxyphenyl)propionate (CHEBI:176565) has functional parent phloretic acid (CHEBI:32980) |
| phloretate (CHEBI:16331) is conjugate base of phloretic acid (CHEBI:32980) |
| IUPAC Name |
|---|
| 3-(4-hydroxyphenyl)propanoic acid |
| Synonyms | Source |
|---|---|
| Phloretic acid | KEGG COMPOUND |
| 3-(4-Hydroxyphenyl)propionic acid | KEGG COMPOUND |
| 4-Hydroxyphenylpropionic acid | NIST Chemistry WebBook |
| β-(p-hydroxyphenyl)propionic acid | NIST Chemistry WebBook |
| HYDROXYPHENYL PROPIONIC ACID | PDBeChem |
| 3-(p-hydroxyphenyl)propionic acid | NIST Chemistry WebBook |
| Citations |
|---|