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CHEBI:136922 - 2,5-dihydroxybenzoic acid 2-O-β-D-glucoside
| Formula | C13H16O9 |
| Net Charge | 0 |
| Average Mass | 316.262 |
| Monoisotopic Mass | 316.07943 |
| SMILES | O=C(O)c1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-7-2-1-5(15)3-6(7)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1 |
| InChIKey | GEZJVEGHJRPQEX-BZNQNGANSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Arabidopsis thaliana (ncbitaxon:3702) | |||
| - | MetaboLights (MTBLS272) | ||
| - | PubMed (27656890) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | Arabidopsis thaliana metabolite Any plant metabolite that is produced by Arabidopsis thaliana. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,5-dihydroxybenzoic acid 2-O-β-D-glucoside (CHEBI:136922) has functional parent 2,5-dihydroxybenzoic acid (CHEBI:17189) |
| 2,5-dihydroxybenzoic acid 2-O-β-D-glucoside (CHEBI:136922) has role Arabidopsis thaliana metabolite (CHEBI:140602) |
| 2,5-dihydroxybenzoic acid 2-O-β-D-glucoside (CHEBI:136922) is a monohydroxybenzoic acid (CHEBI:25389) |
| 2,5-dihydroxybenzoic acid 2-O-β-D-glucoside (CHEBI:136922) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| 2-(β-D-glucopyranosyloxy)-5-hydroxybenzoic acid |
| Synonyms | Source |
|---|---|
| gentisic acid 2-O-β-D-glucoside | ChEBI |
| gentisic acid 2-β-D-glucoside | ChEBI |
| gentisic acid 2-β-glucoside | ChEBI |
| 2,5-dihydroxybenzoic acid 2-β-glucoside | ChEBI |
| 2,5-dihydroxybenzoic acid 2-β-D-glucoside | ChEBI |
| 2-(β-D-glucosyloxy)-5-hydroxybenzoic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| CPD-12663 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1295668 | Reaxys |