EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:85497 - 4-hydroxy-6-(4-methyl-2-oxododecyl)pyran-2-one

ChEBI IDCHEBI:85497
ChEBI Name4-hydroxy-6-(4-methyl-2-oxododecyl)pyran-2-one
Stars
DefinitionAn acyl tetraketide pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a 4-methyl-2-oxododecyl group.
Last Modified23 April 2015
Submitternhn
DownloadsMolfile
FormulaC18H28O4
Net Charge0
Average Mass308.418
Monoisotopic Mass308.19876
SMILESCCCCCCCCC(C)CC(=O)Cc1cc(O)cc(=O)o1
InChIInChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-14(2)10-15(19)11-17-12-16(20)13-18(21)22-17/h12-14,20H,3-11H2,1-2H3
InChIKeyAGPYWZSEQMBMKM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-6-(4-methyl-2-oxododecyl)pyran-2-one (CHEBI:85497) is a 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one (CHEBI:85511)
IUPAC Name 
4-hydroxy-6-(4-methyl-2-oxododecyl)-2H-pyran-2-one
Synonyms  Source
4-hydroxy-6-(4-methyl-2-oxododecyl)pyran-2-oneSUBMITTER
3-methylundecanoyl tetraketide pyroneSUBMITTER
UniProt Name  Source
4-hydroxy-6-(4-methyl-2-oxododecyl)pyran-2-oneUniProt
Registry NumbersSources
Reaxys:10187938Reaxys
Citations