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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3,4-dimethyl-5-propyl-2-furanoctanoic acid;

ChEBI ID	CHEBI:168216

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H28O3

Net Charge

Average Mass

280.408

Monoisotopic Mass

280.20384

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

SMILES

O1C(CCCCCCCC(O)=O)=C(C(=C1CCC)C)C

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue 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 )

ChEBI Ontology
Outgoing	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