EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:180725 - (4-ethyl-2-methoxyphenyl)oxidanesulfonic acid
| Formula | C9H12O5S |
| Net Charge | 0 |
| Average Mass | 232.257 |
| Monoisotopic Mass | 232.04054 |
| SMILES | CCc1ccc(OS(=O)(=O)O)c(OC)c1 |
| InChI | InChI=1S/C9H12O5S/c1-3-7-4-5-8(9(6-7)13-2)14-15(10,11)12/h4-6H,3H2,1-2H3,(H,10,11,12) |
| InChIKey | MKBJQFWSHNXYFZ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood serum (BTO:0000133) | Article |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (4-ethyl-2-methoxyphenyl)oxidanesulfonic acid (CHEBI:180725) is a aryl sulfate (CHEBI:37919) |
| IUPAC Name |
|---|
| (4-ethyl-2-methoxyphenyl) hydrogen sulate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0127988 | HMDB |
| 74852087 | ChemSpider |