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CHEBI:168680 - S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate
| Formula | C10H18O3S |
| Net Charge | 0 |
| Average Mass | 218.318 |
| Monoisotopic Mass | 218.09767 |
| SMILES | CCCC(CCOC(C)=O)SC(C)=O |
| InChI | InChI=1S/C10H18O3S/c1-4-5-10(14-9(3)12)6-7-13-8(2)11/h10H,4-7H2,1-3H3 |
| InChIKey | GSJSVAFGVJLTNQ-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) |
| S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate (CHEBI:168680) is a thiocarboxylic ester (CHEBI:26959) |
| IUPAC Name |
|---|
| 3-acetylsulanylhexyl acetate |
| Manual Xrefs | Databases |
|---|---|
| 2015739 | ChemSpider |
| HMDB0037764 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:136954-25-1 | ChemIDplus |