7-Butyl-2-methyl-1,6-dioxaspiro[4.5]decane (CHEBI:184446)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	7-Butyl-2-methyl-1,6-dioxaspiro[4.5]decane

ChEBI ID	CHEBI:184446

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H24O2

Net Charge

Average Mass

212.333

Monoisotopic Mass

212.17763

InChI

InChI=1S/C13H24O2/c1-3-4-6-12-7-5-9-13(15-12)10-8-11(2)14-13/h11-12H,3-10H2,1-2H3

InChIKey

YJXRBYWOYOXYFN-UHFFFAOYSA-N

SMILES

O1C2(OC(CC2)C)CCCC1CCCC

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	7-Butyl-2-methyl-1,6-dioxaspiro[4.5]decane (CHEBI:184446) is a ketal (CHEBI:59777)

IUPAC Name

7-butyl-2-methyl-1,6-dioxaspiro[4.5]decane