EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:89624 - methylgallic acid-O-sulphate
| Formula | C8H8O8S |
| Net Charge | 0 |
| Average Mass | 264.211 |
| Monoisotopic Mass | 263.99399 |
| SMILES | Cc1c(C(=O)OS(=O)(=O)O)cc(O)c(O)c1O |
| InChI | InChI=1S/C8H8O8S/c1-3-4(8(12)16-17(13,14)15)2-5(9)7(11)6(3)10/h2,9-11H,1H3,(H,13,14,15) |
| InChIKey | XRHMVNYIWRBFDB-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | PubMed (22827565) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methylgallic acid-O-sulphate (CHEBI:89624) is a trihydroxybenzoic acid (CHEBI:27115) |
| IUPAC Name |
|---|
| (3,4,5-trihydroxy-2-methylbenzoyloxy)sulfonic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0060005 | HMDB |
| Citations |
|---|