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CHEBI:168942 - 3-Mercaptoheptyl acetate
| Formula | C9H18O2S |
| Net Charge | 0 |
| Average Mass | 190.308 |
| Monoisotopic Mass | 190.10275 |
| SMILES | CCCCC(S)CCOC(C)=O |
| InChI | InChI=1S/C9H18O2S/c1-3-4-5-9(12)6-7-11-8(2)10/h9,12H,3-7H2,1-2H3 |
| InChIKey | JWESHEXXXWDVAQ-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) |
| 3-Mercaptoheptyl acetate (CHEBI:168942) is a carboxylic ester (CHEBI:33308) |
| IUPAC Name |
|---|
| 3-sulanylheptyl acetate |
| Manual Xrefs | Databases |
|---|---|
| 4936217 | ChemSpider |
| HMDB0032372 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:548774-80-7 | ChemIDplus |