5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid (CHEBI:168964)

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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	5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid

ChEBI ID	CHEBI:168964

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

Submitter	MetaboLights

Supplier Information

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Formula

C9H14O4

Net Charge

Average Mass

186.207

Monoisotopic Mass

186.08921

InChI

InChI=1S/C9H14O4/c1-5(2)3-6-4-7(8(10)11)9(12)13-6/h5-7H,3-4H2,1-2H3,(H,10,11)

InChIKey

ODKYFEYTVOPOOV-UHFFFAOYSA-N

SMILES

O1C(CC(C1=O)C(O)=O)CC(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

ChEBI Ontology
Outgoing	5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid (CHEBI:168964) is a γ-lactone (CHEBI:37581)

IUPAC Name

5-(2-methylpropyl)-2-oxooxolane-3-carboxylic acid