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CHEBI:86612 - dihydroferulic acid
| Formula | C10H12O4 |
| Net Charge | 0 |
| Average Mass | 196.202 |
| Monoisotopic Mass | 196.07356 |
| 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) |
| InChIKey | BOLQJTPHPSDZHR-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (25644343) | |
| Homo sapiens (ncbitaxon:9606) | blood (UBERON:0000178) | PubMed (21676405) | |
| Pseudostellaria heterophylla (ncbitaxon:418402) | root (BTO:0001188) | PubMed (19157126) | |
| Gypsophila paniculata (ncbitaxon:235358) | - | PubMed (17469871) | |
| Bulbophyllum vaginatum (ncbitaxon:1138424) | - | PubMed (Phytochem., 1999, 50, 1237) |
| Roles Classification |
|---|
| Chemical Roles: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. 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. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dihydroferulic acid (CHEBI:86612) has functional parent propionic acid (CHEBI:30768) |
| dihydroferulic acid (CHEBI:86612) has role antioxidant (CHEBI:22586) |
| dihydroferulic acid (CHEBI:86612) has role human xenobiotic metabolite (CHEBI:76967) |
| dihydroferulic acid (CHEBI:86612) has role mouse metabolite (CHEBI:75771) |
| dihydroferulic acid (CHEBI:86612) has role plant metabolite (CHEBI:76924) |
| dihydroferulic acid (CHEBI:86612) is a guaiacols (CHEBI:134251) |
| dihydroferulic acid (CHEBI:86612) is a monocarboxylic acid (CHEBI:25384) |
| dihydroferulic acid (CHEBI:86612) is a phenylpropanoid (CHEBI:26004) |
| dihydroferulic acid (CHEBI:86612) is conjugate acid of dihydroferulate (CHEBI:133751) |
| Incoming Relation(s) |
| vanilloylacetic acid (CHEBI:142914) has functional parent dihydroferulic acid (CHEBI:86612) |
| dihydroferulate (CHEBI:133751) is conjugate base of dihydroferulic acid (CHEBI:86612) |
| IUPAC Name |
|---|
| 3-(4-hydroxy-3-methoxyphenyl)propanoic acid |
| Synonyms | Source |
|---|---|
| dihydroconiferylic acid | ChemIDplus |
| 3-(4-hydroxy-3-methoxyphenyl)propionic acid | ChemIDplus |
| Citations |
|---|