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CHEBI:171971 - 5-Hexyl-1,4-dioxan-2-one
| Formula | C10H18O3 |
| Net Charge | 0 |
| Average Mass | 186.251 |
| Monoisotopic Mass | 186.12559 |
| SMILES | CCCCCCC1COC(=O)CO1 |
| InChI | InChI=1S/C10H18O3/c1-2-3-4-5-6-9-7-13-10(11)8-12-9/h9H,2-8H2,1H3 |
| InChIKey | KBOAQIXMCPQXIP-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| blood plasma (BTO:0000131) | MetaboLights (MTBLS2128) | ||
| Pooled sample (NCIT:C45910) | MetaboLights (MTBLS2128) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-Hexyl-1,4-dioxan-2-one (CHEBI:171971) is a dioxanes (CHEBI:46926) |
| IUPAC Name |
|---|
| 5-hexyl-1,4-dioxan-2-one |
| Manual Xrefs | Databases |
|---|---|
| 4957421 | ChemSpider |
| HMDB0039587 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:65504-97-4 | ChemIDplus |