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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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

ChEBI ID	CHEBI:227936

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H22O4

Net Charge

Average Mass

242.315

Monoisotopic Mass

242.15181

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

SMILES

O=C1O[C@@H](CCCCCC(O)(C(O)C)C)C=C1

Metabolite of Species	Details
Streptomyces (NCBI:txid1883)	See: PubMed

ChEBI Ontology
Outgoing	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