EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:142393 - 4-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@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 |
| InChI | InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(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 | OHEYCHKLBCPRLZ-VHCZEJTMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ranunculus ternatus (ncbitaxon:376254) | root (BTO:0001188) | PubMed (16753780) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-O-β-D-glucosyl-trans-caffeic acid (CHEBI:142393) has functional parent trans-caffeic acid (CHEBI:16433) |
| 4-O-β-D-glucosyl-trans-caffeic acid (CHEBI:142393) is a hydroxycinnamic acid (CHEBI:24689) |
| 4-O-β-D-glucosyl-trans-caffeic acid (CHEBI:142393) is a monosaccharide derivative (CHEBI:63367) |
| 4-O-β-D-glucosyl-trans-caffeic acid (CHEBI:142393) is a β-D-glucoside (CHEBI:22798) |
| 4-O-β-D-glucosyl-trans-caffeic acid (CHEBI:142393) is conjugate acid of 4-O-β-D-glucosyl-trans-caffeate (CHEBI:141765) |
| Incoming Relation(s) |
| 4-O-β-D-glucosyl-trans-caffeate (CHEBI:141765) is conjugate base of 4-O-β-D-glucosyl-trans-caffeic acid (CHEBI:142393) |
| IUPAC Name |
|---|
| (2E)-3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]prop-2-enoic acid |
| Synonyms | Source |
|---|---|
| trans-caffeic acid 4-O-β-D-glucoside | ChEBI |
| (E)-caffeic acid 4-O-β-D-glucopyranoside | ChEBI |
| 4-O-β-glucopyranosyl-(E)-caffeic acid | ChEBI |
| 4-O-(β-D-glucopyranosyl)-E-caffeic acid | ChEBI |
| (E)-4-O-(β-D-glucopyranosyl)caffeic acid | ChEBI |
| trans-caffeic acid 4-O-β-D-glucopyranoside | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:44983 | Reaxys |
| Citations |
|---|