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

ChEBI IDCHEBI:180531
ChEBI Name3-Furancarboxylic acid, tetrahydro-4-methylene-2-octyl-5-oxo-, (2R,3S)-rel-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O4
Net Charge0
Average Mass254.326
Monoisotopic Mass254.15181
SMILESC=C1C(=O)O[C@H](CCCCCCCC)[C@H]1C(=O)O
InChIInChI=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
InChIKeyVCWLZDVWHQVAJU-NEPJUHHUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS3233)
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
8057182ChemSpider