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CHEBI:211275 - 4,5-dihydro-5-(hydroxymethyl)-5-[(1E)-3-(1-methylethyl)-6-oxohept-1-en-1-yl]furan-2(3H)-one

ChEBI IDCHEBI:211275
ChEBI Name4,5-dihydro-5-(hydroxymethyl)-5-[(1E)-3-(1-methylethyl)-6-oxohept-1-en-1-yl]furan-2(3H)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O4
Net Charge0
Average Mass268.353
Monoisotopic Mass268.16746
SMILESCC(=O)CCC(/C=C/C1(CO)CCC(=O)O1)C(C)C
InChIInChI=1S/C15H24O4/c1-11(2)13(5-4-12(3)17)6-8-15(10-16)9-7-14(18)19-15/h6,8,11,13,16H,4-5,7,9-10H2,1-3H3/b8-6+
InChIKeyKIKKXDGMUYGHQT-SOFGYWHQSA-N
Species of MetaboliteComponentSourceComments
Tuberculariaspecies TF5 (ncbitaxon:252395) - DOI (10.1002/hlca.201300101)
ChEBI Ontology
Outgoing Relation(s)
4,5-dihydro-5-(hydroxymethyl)-5-[(1E)-3-(1-methylethyl)-6-oxohept-1-en-1-yl]furan-2(3H)-one (CHEBI:211275) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
5-(hydroxymethyl)-5-[(E)-6-oxo-3-propan-2-ylhept-1-enyl]oxolan-2-one
Manual XrefsDatabases
78435752ChemSpider