1-(5-(2-hydroxypropanoyl)-furan-2-yl)-pentan-3-one (CHEBI:207588)

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CHEBI:207588 - 1-(5-(2-hydroxypropanoyl)-furan-2-yl)-pentan-3-one

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ChEBI ID	CHEBI:207588
ChEBI Name	1-(5-(2-hydroxypropanoyl)-furan-2-yl)-pentan-3-one
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Submitter	MetaboLights
Downloads	Molfile

Formula	C12H16O4
Net Charge	0
Average Mass	224.256
Monoisotopic Mass	224.10486
SMILES	CCC(=O)CCc1ccc(C(=O)[C@H](C)O)o1
InChI	InChI=1S/C12H16O4/c1-3-9(14)4-5-10-6-7-11(16-10)12(15)8(2)13/h6-8,13H,3-5H2,1-2H3/t8-/m0/s1
InChIKey	SHVLDFMVBSKNIK-QMMMGPOBSA-N

Species of Metabolite	Component	Source	Comments
Coriolopsis (ncbitaxon:76125)	-	PubMed (28208775)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	1-(5-(2-hydroxypropanoyl)-furan-2-yl)-pentan-3-one (CHEBI:207588) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
1-[5-(2-hydroxypropanoyl)uran-2-yl]pentan-3-one

Manual Xrefs	Databases
61360280	ChemSpider