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CHEBI:88363 - 8,5'-diferulic acid
| Formula | C20H18O8 |
| Net Charge | 0 |
| Average Mass | 386.356 |
| Monoisotopic Mass | 386.10017 |
| SMILES | COc1cc(/C=C(/C(=O)O)c2cc(/C=C/C(=O)O)cc(OC)c2O)ccc1O |
| InChI | InChI=1S/C20H18O8/c1-27-16-9-11(3-5-15(16)21)8-14(20(25)26)13-7-12(4-6-18(22)23)10-17(28-2)19(13)24/h3-10,21,24H,1-2H3,(H,22,23)(H,25,26)/b6-4+,14-8+ |
| InChIKey | DEPVSDIYICBTJE-SITOFEAGSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Phyllanthus niruri (ncbitaxon:296034) | - | MetaboLights (MTBLS224) | |
| Aspergillus unilateralis (ncbitaxon:41057) | - | PubMed (15602607) | Strain: MST-F8675 |
| Roles Classification |
|---|
| Chemical Role: | 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. Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8,5'-diferulic acid (CHEBI:88363) has functional parent trans-ferulic acid (CHEBI:17620) |
| 8,5'-diferulic acid (CHEBI:88363) has role Aspergillus metabolite (CHEBI:76956) |
| 8,5'-diferulic acid (CHEBI:88363) has role plant metabolite (CHEBI:76924) |
| 8,5'-diferulic acid (CHEBI:88363) is a dicarboxylic acid (CHEBI:35692) |
| 8,5'-diferulic acid (CHEBI:88363) is a methoxybenzenes (CHEBI:51683) |
| 8,5'-diferulic acid (CHEBI:88363) is a olefinic compound (CHEBI:78840) |
| 8,5'-diferulic acid (CHEBI:88363) is a polyphenol (CHEBI:26195) |
| IUPAC Name |
|---|
| (2E)-2-{5-[(E)-2-carboxyethenyl]-2-hydroxy-3-methoxyphenyl}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
| Synonyms | Source |
|---|---|
| Ferulic acid 8-5-dehydrodimer | ChEBI |
| 8,5'-DiFA | ChEBI |
| 5-8'-Dehydrodiferulic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 8,5%27-Diferulic_acid | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7051946 | Reaxys |
| Citations |
|---|