1-(5-(1,2-dihydroxypropyl)-furan-2-yl)-pentan-1-one (CHEBI:207601)

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CHEBI:207601 - 1-(5-(1,2-dihydroxypropyl)-furan-2-yl)-pentan-1-one

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ChEBI ID	CHEBI:207601
ChEBI Name	1-(5-(1,2-dihydroxypropyl)-furan-2-yl)-pentan-1-one
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Submitter	MetaboLights
Downloads	Molfile

Formula	C12H18O4
Net Charge	0
Average Mass	226.272
Monoisotopic Mass	226.12051
SMILES	CCCCC(=O)c1ccc(C(O)C(C)O)o1
InChI	InChI=1S/C12H18O4/c1-3-4-5-9(14)10-6-7-11(16-10)12(15)8(2)13/h6-8,12-13,15H,3-5H2,1-2H3
InChIKey	OPYJFZAEBBEQJG-UHFFFAOYSA-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-(1,2-dihydroxypropyl)-furan-2-yl)-pentan-1-one (CHEBI:207601) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
1-[5-(1,2-dihydroxypropyl)uran-2-yl]pentan-1-one

Manual Xrefs	Databases
61360282	ChemSpider