EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:169716 - 3,5-dihydroxy-4-(sulfooxy)benzoic acid
| Formula | C7H6O8S |
| Net Charge | 0 |
| Average Mass | 250.184 |
| Monoisotopic Mass | 249.97834 |
| SMILES | O=C(O)c1cc(O)c(OS(=O)(=O)O)c(O)c1 |
| InChI | InChI=1S/C7H6O8S/c8-4-1-3(7(10)11)2-5(9)6(4)15-16(12,13)14/h1-2,8-9H,(H,10,11)(H,12,13,14) |
| InChIKey | DMNOQQUULVKPTE-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,5-dihydroxy-4-(sulfooxy)benzoic acid (CHEBI:169716) is a trihydroxybenzoic acid (CHEBI:27115) |
| IUPAC Name |
|---|
| 3,5-dihydroxy-4-sulooxybenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0126639 | HMDB |
| 74851960 | ChemSpider |