3-Furancarboxylic acid, tetrahydro-4-methylene-2-octyl-5-oxo-, (2R,3S)-rel- (CHEBI:180531)

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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	3-Furancarboxylic acid, tetrahydro-4-methylene-2-octyl-5-oxo-, (2R,3S)-rel-

ChEBI ID	CHEBI:180531

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H22O4

Net Charge

Average Mass

254.326

Monoisotopic Mass

254.15181

InChI

InChI=1S/C14H22O4/c1-3-4-5-6-7-8-9-11-12(13(15)16)10(2)14(17)18-11/h11-12H,2-9H2,1H3,(H,15,16)/t11-,12+/m1/s1

InChIKey

VCWLZDVWHQVAJU-NEPJUHHUSA-N

SMILES

O1[C@H](CCCCCCCC)[C@H](C(C1=O)=C)C(O)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	3-Furancarboxylic acid, tetrahydro-4-methylene-2-octyl-5-oxo-, (2R,3S)-rel- (CHEBI:180531) is a γ-lactone (CHEBI:37581)

IUPAC Name

(2R,3S)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid