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

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ChEBI Name 11-(3,4-dimethyl-5-butylfuran-2-yl)-undecanoic acid
ChEBI ID CHEBI:197085
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H36O3
Net Charge 0
Average Mass 336.516
Monoisotopic Mass 336.26645
InChI InChI=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)
InChIKey HHLJTVKQHLQNRZ-UHFFFAOYSA-N
SMILES O1C(CCCCCCCCCCC(O)=O)=C(C(=C1CCCC)C)C
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
67491684 ChemSpider
HMDB0112072 HMDB
LMFA01150021 LIPID MAPS
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