EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205658 - (5S,6S)-5-methyl-6-[(2E,4E,6E)-octa-2,4,6-trien-2-yl]oxane-2,4-dione

ChEBI IDCHEBI:205658
ChEBI Name(5S,6S)-5-methyl-6-[(2E,4E,6E)-octa-2,4,6-trien-2-yl]oxane-2,4-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O3
Net Charge0
Average Mass234.295
Monoisotopic Mass234.12559
SMILESC/C=C/C=C/C=C(\C)[C@H]1OC(=O)CC(=O)[C@H]1C
InChIInChI=1S/C14H18O3/c1-4-5-6-7-8-10(2)14-11(3)12(15)9-13(16)17-14/h4-8,11,14H,9H2,1-3H3/b5-4+,7-6+,10-8+/t11-,14-/m1/s1
InChIKeyDXBJPNHJQDZLKI-DVJPBPTDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31678008)
ChEBI Ontology
Outgoing Relation(s)
(5S,6S)-5-methyl-6-[(2E,4E,6E)-octa-2,4,6-trien-2-yl]oxane-2,4-dione (CHEBI:205658) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(5S,6S)-5-methyl-6-[(2E,4E,6E)-octa-2,4,6-trien-2-yl]oxane-2,4-dione