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CHEBI:145663 - 2-(β-D-glucopyranosyloxy)benzoic acid
| Formula | C13H16O8 |
| Net Charge | 0 |
| Average Mass | 300.263 |
| Monoisotopic Mass | 300.08452 |
| SMILES | O=C(O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1 |
| InChIKey | TZPBMNKOLMSJPF-BZNQNGANSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Solanum tuberosum (ncbitaxon:4113) | leaf (BTO:0000713) | PubMed (9662552) | |
| Brassica napus (ncbitaxon:3708) | xylem (BTO:0001468) | PubMed (19449088) |
| 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. |
| Application: | anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(β-D-glucopyranosyloxy)benzoic acid (CHEBI:145663) has functional parent β-D-glucose (CHEBI:15903) |
| 2-(β-D-glucopyranosyloxy)benzoic acid (CHEBI:145663) has role anti-inflammatory agent (CHEBI:67079) |
| 2-(β-D-glucopyranosyloxy)benzoic acid (CHEBI:145663) has role plant metabolite (CHEBI:76924) |
| 2-(β-D-glucopyranosyloxy)benzoic acid (CHEBI:145663) is a 2-(D-glucosyloxy)benzoic acid (CHEBI:87766) |
| 2-(β-D-glucopyranosyloxy)benzoic acid (CHEBI:145663) is conjugate acid of 2-(β-D-glucopyranosyloxy)benzoate (CHEBI:145670) |
| Incoming Relation(s) |
| 2-(β-D-glucopyranosyloxy)benzoate (CHEBI:145670) is conjugate base of 2-(β-D-glucopyranosyloxy)benzoic acid (CHEBI:145663) |
| IUPAC Name |
|---|
| 2-(β-D-glucopyranosyloxy)benzoic acid |
| Synonyms | Source |
|---|---|
| salicylic acid β-D-glucoside | ChEBI |
| 2-carboxyphenyl β-D-glucopyranoside | ChEBI |
| 2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}benzoic acid | IUPAC |
| 2-O-(β-D-glucosyl)salicylic acid | ChEBI |
| salicylic acid 2-O-β-D-glucoside | ChEBI |
| 2-O-β-glucopyranosylsalicylic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| CAS:10367-11-0 | ChEBI |
| Citations |
|---|