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CHEBI:197085 - 11-(3,4-dimethyl-5-butylfuran-2-yl)-undecanoic acid

ChEBI IDCHEBI:197085
ChEBI Name11-(3,4-dimethyl-5-butylfuran-2-yl)-undecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O3
Net Charge0
Average Mass336.516
Monoisotopic Mass336.26645
SMILESCCCCc1oc(CCCCCCCCCCC(=O)O)c(C)c1C
InChIInChI=1S/C21H36O3/c1-4-5-14-19-17(2)18(3)20(24-19)15-12-10-8-6-7-9-11-13-16-21(22)23/h4-16H2,1-3H3,(H,22,23)
InChIKeyHHLJTVKQHLQNRZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
11-(3,4-dimethyl-5-butylfuran-2-yl)-undecanoic acid (CHEBI:197085) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
11-(5-butyl-3,4-dimethyluran-2-yl)undecanoic acid
Manual XrefsDatabases
67491684ChemSpider
HMDB0112072HMDB
LMFA01150021LIPID MAPS