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CHEBI:3293 - 3-O-β-D-glucosyl-trans-caffeic acid
| Formula | C15H18O9 |
| Net Charge | 0 |
| Average Mass | 342.300 |
| Monoisotopic Mass | 342.09508 |
| SMILES | O=C(O)/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 |
| InChI | InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-5-7(1-3-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1 |
| InChIKey | QOPSZFXPZWQLOG-VHCZEJTMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Centella asiatica (ncbitaxon:48106) | - | MetaboLights (MTBLS175) |
| 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) |
| 3-O-β-D-glucosyl-trans-caffeic acid (CHEBI:3293) has functional parent trans-caffeic acid (CHEBI:16433) |
| 3-O-β-D-glucosyl-trans-caffeic acid (CHEBI:3293) has role plant metabolite (CHEBI:76924) |
| 3-O-β-D-glucosyl-trans-caffeic acid (CHEBI:3293) is a hydroxycinnamic acid (CHEBI:24689) |
| 3-O-β-D-glucosyl-trans-caffeic acid (CHEBI:3293) is a monosaccharide derivative (CHEBI:63367) |
| 3-O-β-D-glucosyl-trans-caffeic acid (CHEBI:3293) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| (2E)-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]prop-2-enoic acid |
| Synonyms | Source |
|---|---|
| Caffeic acid 3-glucoside | KEGG COMPOUND |
| trans-caffeic acid 3-O-β-D-glucoside | ChEBI |