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CHEBI:169830 - {[5-(4-methoxyphenyl)-3-oxopentyl]oxy}sulfonic acid
| Formula | C12H16O6S |
| Net Charge | 0 |
| Average Mass | 288.321 |
| Monoisotopic Mass | 288.06676 |
| SMILES | COc1ccc(CCC(=O)CCOS(=O)(=O)O)cc1 |
| InChI | InChI=1S/C12H16O6S/c1-17-12-6-3-10(4-7-12)2-5-11(13)8-9-18-19(14,15)16/h3-4,6-7H,2,5,8-9H2,1H3,(H,14,15,16) |
| InChIKey | SZRKNRKPOZEPFL-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| {[5-(4-methoxyphenyl)-3-oxopentyl]oxy}sulfonic acid (CHEBI:169830) is a methoxybenzenes (CHEBI:51683) |
| IUPAC Name |
|---|
| [5-(4-methoxyphenyl)-3-oxopentyl] hydrogen sulate |
| Manual Xrefs | Databases |
|---|---|
| 74853083 | ChemSpider |
| HMDB0133004 | HMDB |