3,4-dimethyl-5-propyl-2-furanoctanoic acid; (CHEBI:168216)

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CHEBI:168216 - 3,4-dimethyl-5-propyl-2-furanoctanoic acid;

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ChEBI ID	CHEBI:168216
ChEBI Name	3,4-dimethyl-5-propyl-2-furanoctanoic acid;
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H28O3
Net Charge	0
Average Mass	280.408
Monoisotopic Mass	280.20384
SMILES	CCCc1oc(CCCCCCCC(=O)O)c(C)c1C
InChI	InChI=1S/C17H28O3/c1-4-10-15-13(2)14(3)16(20-15)11-8-6-5-7-9-12-17(18)19/h4-12H2,1-3H3,(H,18,19)
InChIKey	JGGAKHTVIUIVPQ-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	3,4-dimethyl-5-propyl-2-furanoctanoic acid; (CHEBI:168216) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
8-(3,4-dimethyl-5-propyluran-2-yl)octanoic acid

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