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CHEBI:171979 - 6-Hexyl-1,4-dioxan-2-one

ChEBI IDCHEBI:171979
ChEBI Name6-Hexyl-1,4-dioxan-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H18O3
Net Charge0
Average Mass186.251
Monoisotopic Mass186.12559
SMILESCCCCCCC1COCC(=O)O1
InChIInChI=1S/C10H18O3/c1-2-3-4-5-6-9-7-12-8-10(11)13-9/h9H,2-8H2,1H3
InChIKeyDDMSZJBFTYIFQQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
6-Hexyl-1,4-dioxan-2-one (CHEBI:171979) is a dioxanes (CHEBI:46926)
IUPAC Name 
6-hexyl-1,4-dioxan-2-one
Manual XrefsDatabases
14517734ChemSpider
HMDB0039582HMDB
Registry NumbersSources
CAS:59646-18-3ChemIDplus