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CHEBI:17335 - 4-O-β-D-glucosyl-4-coumaric acid
| Formula | C15H18O8 |
| Net Charge | 0 |
| Average Mass | 326.301 |
| Monoisotopic Mass | 326.10017 |
| SMILES | [H]C(=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)O |
| InChI | InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/t10-,12-,13+,14-,15-/m1/s1 |
| InChIKey | LJFYQZQUAULRDF-TVKJYDDYSA-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-4-coumaric acid (CHEBI:17335) has functional parent 4-coumaric acid (CHEBI:36090) |
| 4-O-β-D-glucosyl-4-coumaric acid (CHEBI:17335) is a glucosyl hydroxycinnamic acid (CHEBI:24282) |
| 4-O-β-D-glucosyl-4-coumaric acid (CHEBI:17335) is a olefinic compound (CHEBI:78840) |
| 4-O-β-D-glucosyl-4-coumaric acid (CHEBI:17335) is conjugate acid of 4-O-β-D-glucosyl-4-coumarate (CHEBI:47893) |
| Incoming Relation(s) |
| 4-O-β-D-glucosyl-trans-4-coumaric acid (CHEBI:83032) is a 4-O-β-D-glucosyl-4-coumaric acid (CHEBI:17335) |
| 4'-O-β-D-glucosyl-cis-p-coumaric acid (CHEBI:16099) is a 4-O-β-D-glucosyl-4-coumaric acid (CHEBI:17335) |
| 4-O-β-D-glucosyl-4-coumarate (CHEBI:47893) is conjugate base of 4-O-β-D-glucosyl-4-coumaric acid (CHEBI:17335) |
| IUPAC Name |
|---|
| 3-[4-(β-D-glucopyranosyloxy)phenyl]prop-2-enoic acid |
| Synonyms | Source |
|---|---|
| 4-O-[4-(2-carboxyvinyl)phenyl]-β-D-glucopyranose | ChEBI |
| 3-[4-(β-D-glucopyranosyloxy)phenyl]acrylic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C04415 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Beilstein:6528358 | Beilstein |