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CHEBI:169200 - Hexyl 3-mercaptobutanoate
| Formula | C10H20O2S |
| Net Charge | 0 |
| Average Mass | 204.335 |
| Monoisotopic Mass | 204.11840 |
| SMILES | CCCCCCOC(=O)CC(C)S |
| InChI | InChI=1S/C10H20O2S/c1-3-4-5-6-7-12-10(11)8-9(2)13/h9,13H,3-8H2,1-2H3 |
| InChIKey | HDYQKQAKXIPCAP-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) |
| Hexyl 3-mercaptobutanoate (CHEBI:169200) is a fatty acid ester (CHEBI:35748) |
| IUPAC Name |
|---|
| hexyl 3-sulanylbutanoate |
| Manual Xrefs | Databases |
|---|---|
| 8140000 | ChemSpider |
| HMDB0032327 | HMDB |
| LMFA07010907 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| CAS:796857-79-9 | ChemIDplus |