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CHEBI:16546 - 1-O-sinapoyl-β-D-glucose
| Formula | C17H22O10 |
| Net Charge | 0 |
| Average Mass | 386.353 |
| Monoisotopic Mass | 386.12130 |
| SMILES | COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O |
| InChI | InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1 |
| InChIKey | XRKBRPFTFKKHEF-DGDBGZAXSA-N |
| 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) |
| 1-O-sinapoyl-β-D-glucose (CHEBI:16546) has functional parent trans-sinapic acid (CHEBI:15714) |
| 1-O-sinapoyl-β-D-glucose (CHEBI:16546) has functional parent β-D-glucose (CHEBI:15903) |
| 1-O-sinapoyl-β-D-glucose (CHEBI:16546) has role plant metabolite (CHEBI:76924) |
| 1-O-sinapoyl-β-D-glucose (CHEBI:16546) is a cinnamate ester (CHEBI:36087) |
| 1-O-sinapoyl-β-D-glucose (CHEBI:16546) is a dimethoxybenzene (CHEBI:51681) |
| 1-O-sinapoyl-β-D-glucose (CHEBI:16546) is a glucosyl hydroxycinnamic acid (CHEBI:24282) |
| 1-O-sinapoyl-β-D-glucose (CHEBI:16546) is a monosaccharide derivative (CHEBI:63367) |
| IUPAC Name |
|---|
| (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl β-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| 1-O-Sinapoyl beta-D-glucoside | KEGG COMPOUND |
| 1-O-Sinapoyl-beta-D-glucose | KEGG COMPOUND |
| (E)-(2S,3R,4S,5S,6R)-TETRAHYDRO-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2H-PYRAN-2-YL 3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)ACRYLATE | PDBeChem |
| 1-O-Sinapoyl beta-D-glucoside | KEGG COMPOUND |
| 1-O-[(E)-sinapoyl]-β-D-glucopyranose | ChEBI |
| 1-O-[(2E)-sinapoyl]-β-D-glucose | ChEBI |
| UniProt Name | Source |
|---|---|
| 1-O-(trans-sinapoyl)-β-D-glucose | UniProt |
| Citations |
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