5-(6,7-dihydroxy-6-methyloctyl)furan-2(5H)-one (CHEBI:227936)

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CHEBI:227936 - 5-(6,7-dihydroxy-6-methyloctyl)furan-2(5H)-one

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ChEBI ID	CHEBI:227936
ChEBI Name	5-(6,7-dihydroxy-6-methyloctyl)furan-2(5H)-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H22O4
Net Charge	0
Average Mass	242.315
Monoisotopic Mass	242.15181
SMILES	CC(O)C(C)(O)CCCCC[C@H]1C=CC(=O)O1
InChI	InChI=1S/C13H22O4/c1-10(14)13(2,16)9-5-3-4-6-11-7-8-12(15)17-11/h7-8,10-11,14,16H,3-6,9H2,1-2H3/t10?,11-,13?/m0/s1
InChIKey	QLCNGDGKEPRQMG-AKJDGMEZSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (17193270)

ChEBI Ontology

Outgoing Relation(s)
	5-(6,7-dihydroxy-6-methyloctyl)furan-2(5H)-one (CHEBI:227936) is a aliphatic alcohol (CHEBI:2571)

IUPAC Name
(2S)-2-(6,7-dihydroxy-6-methyloctyl)-2H-uran-5-one

Manual Xrefs	Databases
78441452	ChemSpider