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CHEBI:169011 - 5-Butyl-2-furanoctanoic acid

ChEBI IDCHEBI:169011
ChEBI Name5-Butyl-2-furanoctanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O3
Net Charge0
Average Mass266.381
Monoisotopic Mass266.18819
SMILESCCCCc1ccc(CCCCCCCC(=O)O)o1
InChIInChI=1S/C16H26O3/c1-2-3-9-14-12-13-15(19-14)10-7-5-4-6-8-11-16(17)18/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyJIZXCHDGGWLYFG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5-Butyl-2-furanoctanoic acid (CHEBI:169011) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
8-(5-butyluran-2-yl)octanoic acid
Manual XrefsDatabases
74849752ChemSpider
HMDB0112097HMDB