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CHEBI:145341 - 4-O-β-D-glucosyl-trans-sinapic acid
| Formula | C17H22O10 |
| Net Charge | 0 |
| Average Mass | 386.353 |
| Monoisotopic Mass | 386.12130 |
| SMILES | COc1cc(/C=C/C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1 |
| InChIKey | KKLWTTVTWMTNBP-KYXYLJOWSA-N |
| 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-sinapic acid (CHEBI:145341) has functional parent trans-sinapic acid (CHEBI:15714) |
| 4-O-β-D-glucosyl-trans-sinapic acid (CHEBI:145341) is a dimethoxybenzene (CHEBI:51681) |
| 4-O-β-D-glucosyl-trans-sinapic acid (CHEBI:145341) is a methoxycinnamic acid (CHEBI:61407) |
| 4-O-β-D-glucosyl-trans-sinapic acid (CHEBI:145341) is a monosaccharide derivative (CHEBI:63367) |
| 4-O-β-D-glucosyl-trans-sinapic acid (CHEBI:145341) is a β-D-glucoside (CHEBI:22798) |
| 4-O-β-D-glucosyl-trans-sinapic acid (CHEBI:145341) is conjugate acid of 4-O-β-D-glucosyl-trans-sinapate (CHEBI:141763) |
| Incoming Relation(s) |
| 4-O-β-D-glucosyl-trans-sinapate (CHEBI:141763) is conjugate base of 4-O-β-D-glucosyl-trans-sinapic acid (CHEBI:145341) |
| IUPAC Name |
|---|
| (2E)-3-[4-(β-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]acrylic acid |
| Synonyms | Source |
|---|---|
| 4-O-(β-D-glucosyl)-(2E)-sinapic acid | ChEBI |
| O4-(β-D-glucosyl)-(2E)-sinapic acid | ChEBI |
| sinapoyl-4-O-β-D-glucoside | ChEBI |
| 4-O-(β-D-glucopyranosyl)-(2E)-sinapic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 1-SINAPOYL-D-GLUCOSE | MetaCyc |
| C02919 | KEGG COMPOUND |
| Citations |
|---|