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CHEBI:193872 - {[1-(4-methoxyphenyl)-3-oxopentyl]oxy}sulfonic acid
| Formula | C12H16O6S |
| Net Charge | 0 |
| Average Mass | 288.321 |
| Monoisotopic Mass | 288.06676 |
| SMILES | CCC(=O)CC(OS(=O)(=O)O)c1ccc(OC)cc1 |
| InChI | InChI=1S/C12H16O6S/c1-3-10(13)8-12(18-19(14,15)16)9-4-6-11(17-2)7-5-9/h4-7,12H,3,8H2,1-2H3,(H,14,15,16) |
| InChIKey | RZWPBOJSWHHXMI-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| synthetic microbial community (ncbitaxon:3229850) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3129) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| {[1-(4-methoxyphenyl)-3-oxopentyl]oxy}sulfonic acid (CHEBI:193872) is a methoxybenzenes (CHEBI:51683) |
| IUPAC Name |
|---|
| [1-(4-methoxyphenyl)-3-oxopentyl] hydrogen sulate |
| Manual Xrefs | Databases |
|---|---|
| 74853085 | ChemSpider |