1-(5-(2-hydroxybutyl)furan-2-yl)-3-methoxybutan-2-OL (CHEBI:215839)

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CHEBI:215839 - 1-(5-(2-hydroxybutyl)furan-2-yl)-3-methoxybutan-2-OL

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ChEBI ID	CHEBI:215839
ChEBI Name	1-(5-(2-hydroxybutyl)furan-2-yl)-3-methoxybutan-2-OL
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H22O4
Net Charge	0
Average Mass	242.315
Monoisotopic Mass	242.15181
SMILES	CCC(O)Cc1ccc(CC(O)C(C)OC)o1
InChI	InChI=1S/C13H22O4/c1-4-10(14)7-11-5-6-12(17-11)8-13(15)9(2)16-3/h5-6,9-10,13-15H,4,7-8H2,1-3H3
InChIKey	VXMVUNGESGBPNN-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Ceriporia (ncbitaxon:40427)	-	DOI (10.1007/s10600-018-2377-0)

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-hydroxybutyl)furan-2-yl)-3-methoxybutan-2-OL (CHEBI:215839) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
1-[5-(2-hydroxybutyl)uran-2-yl]-3-methoxybutan-2-ol