CHEBI:171971 - 5-Hexyl-1,4-dioxan-2-one

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ChEBI Name 5-Hexyl-1,4-dioxan-2-one
ChEBI ID CHEBI:171971
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H18O3
Net Charge 0
Average Mass 186.251
Monoisotopic Mass 186.12559
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
SMILES O1C(CCCCCC)COC(=O)C1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 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
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Registry Number Type Source
65504-97-4 CAS Registry Number ChemIDplus