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CHEBI:16741 - 4-(β-D-glucosyloxy)benzoic acid
| Formula | C13H16O8 |
| Net Charge | 0 |
| Average Mass | 300.263 |
| Monoisotopic Mass | 300.08452 |
| SMILES | O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
| InChI | InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1 |
| InChIKey | XSSDYIMYZONMBL-BZNQNGANSA-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-(β-D-glucosyloxy)benzoic acid (CHEBI:16741) has functional parent benzoic acid (CHEBI:30746) |
| 4-(β-D-glucosyloxy)benzoic acid (CHEBI:16741) is a benzoic acids (CHEBI:22723) |
| 4-(β-D-glucosyloxy)benzoic acid (CHEBI:16741) is a β-D-glucoside (CHEBI:22798) |
| 4-(β-D-glucosyloxy)benzoic acid (CHEBI:16741) is conjugate acid of 4-(β-D-glucosyloxy)benzoate (CHEBI:11935) |
| Incoming Relation(s) |
| 4-(β-D-glucosyloxy)benzoate (CHEBI:11935) is conjugate base of 4-(β-D-glucosyloxy)benzoic acid (CHEBI:16741) |
| IUPAC Name |
|---|
| 4-(β-D-glucopyranosyloxy)benzoic acid |
| Synonyms | Source |
|---|---|
| 4-O-β-D-glucopyranosyl-p-hydroxybenzoic acid | ChEBI |
| p-hydroxybenzoic acid β-D-glucopyranoside | ChEBI |
| 4-(β-D-glucopyranosyloxy)benzoic acid | ChEBI |
| p-hydroxybenzoic acid 4-O-β-D-glucopyranoside | ChEBI |
| 4-hydroxybenzoic acid 4-O-β-D-glucopyranoside | ChEBI |
| 4-Hydroxybenzoate-O-glucoside | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C03993 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Reaxys:33159 | Reaxys |
| Citations |
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