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CHEBI:139435 - 4-O-β-D-glucosyl-trans-ferulic acid
| Formula | C16H20O9 |
| Net Charge | 0 |
| Average Mass | 356.327 |
| Monoisotopic Mass | 356.11073 |
| SMILES | COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1 |
| InChIKey | IEMIRSXOYFWPFD-BJGSYIFTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Helianthemum ruficomum (ncbitaxon:2020778) | - | PubMed (28208718) |
| 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) |
| 4-O-β-D-glucosyl-trans-ferulic acid (CHEBI:139435) has functional parent trans-ferulic acid (CHEBI:17620) |
| 4-O-β-D-glucosyl-trans-ferulic acid (CHEBI:139435) has role plant metabolite (CHEBI:76924) |
| 4-O-β-D-glucosyl-trans-ferulic acid (CHEBI:139435) is a methoxycinnamic acid (CHEBI:61407) |
| 4-O-β-D-glucosyl-trans-ferulic acid (CHEBI:139435) is a monomethoxybenzene (CHEBI:25235) |
| 4-O-β-D-glucosyl-trans-ferulic acid (CHEBI:139435) is a monosaccharide derivative (CHEBI:63367) |
| 4-O-β-D-glucosyl-trans-ferulic acid (CHEBI:139435) is a β-D-glucoside (CHEBI:22798) |
| 4-O-β-D-glucosyl-trans-ferulic acid (CHEBI:139435) is conjugate acid of 4-O-β-D-glucosyl-trans-ferulate (CHEBI:141767) |
| Incoming Relation(s) |
| 4-O-β-D-glucosyl-trans-ferulate (CHEBI:141767) is conjugate base of 4-O-β-D-glucosyl-trans-ferulic acid (CHEBI:139435) |
| IUPAC Name |
|---|
| (2E)-3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]prop-2-enoic acid |
| Synonyms | Source |
|---|---|
| (E)-ferulic acid 4-O-β-D-glucoside | HMDB |
| ferulic acid 4-glucoside | HMDB |
| ferulic acid 4-O-glucoside | ChEBI |
| (2E)-3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]acrylic acid | ChEBI |
| lavandoside | HMDB |
| trans-ferulic acid 4-β-D-glucoside | HMDB |
| Manual Xrefs | Databases |
|---|---|
| 10212167 | ChemSpider |
| HMDB0301717 | HMDB |
| FDB000256 | FooDB |
| Citations |
|---|