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CHEBI:168698 - 3-methyl-4-(sulfooxy)but-2-enoic acid
| Formula | C5H8O6S |
| Net Charge | 0 |
| Average Mass | 196.180 |
| Monoisotopic Mass | 196.00416 |
| SMILES | C/C(=C\C(=O)O)COS(=O)(=O)O |
| InChI | InChI=1S/C5H8O6S/c1-4(2-5(6)7)3-11-12(8,9)10/h2H,3H2,1H3,(H,6,7)(H,8,9,10)/b4-2+ |
| InChIKey | ZIPSMZIPVWPOIW-DUXPYHPUSA-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) |
| 3-methyl-4-(sulfooxy)but-2-enoic acid (CHEBI:168698) is a alkyl sulfate (CHEBI:29281) |
| 3-methyl-4-(sulfooxy)but-2-enoic acid (CHEBI:168698) is a fatty acid derivative (CHEBI:61697) |
| IUPAC Name |
|---|
| (E)-3-methyl-4-sulooxybut-2-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 74852382 | ChemSpider |