EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205792 - 6-(2′R-hydroxy-3′E,5′E-diene-1′-heptyl)-4-hydroxy-3-methyl-2H-pyran-2-one

ChEBI IDCHEBI:205792
ChEBI Name6-(2′R-hydroxy-3′E,5′E-diene-1′-heptyl)-4-hydroxy-3-methyl-2H-pyran-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O4
Net Charge0
Average Mass236.267
Monoisotopic Mass236.10486
SMILESC/C=C/C=C/[C@H](O)Cc1cc(O)c(C)c(=O)o1
InChIInChI=1S/C13H16O4/c1-3-4-5-6-10(14)7-11-8-12(15)9(2)13(16)17-11/h3-6,8,10,14-15H,7H2,1-2H3/b4-3+,6-5+/t10-/m0/s1
InChIKeyJEISGSXMCHOCAF-POOPIXKXSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30129376)
ChEBI Ontology
Outgoing Relation(s)
6-(2′R-hydroxy-3′E,5′E-diene-1′-heptyl)-4-hydroxy-3-methyl-2H-pyran-2-one (CHEBI:205792) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
4-hydroxy-6-[(2R,3E,5E)-2-hydroxyhepta-3,5-dienyl]-3-methylpyran-2-one