EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:203844 - 5,6-dihydro-5(S)-acetoxy-6(S)-(1,2-trans propenyl)-2H-pyran-2-one

ChEBI IDCHEBI:203844
ChEBI Name5,6-dihydro-5(S)-acetoxy-6(S)-(1,2-trans propenyl)-2H-pyran-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O4
Net Charge0
Average Mass196.202
Monoisotopic Mass196.07356
SMILESC/C=C/[C@@H]1OC(=O)C=C[C@@H]1OC(C)=O
InChIInChI=1S/C10H12O4/c1-3-4-8-9(13-7(2)11)5-6-10(12)14-8/h3-6,8-9H,1-2H3/b4-3+/t8-,9-/m0/s1
InChIKeySXCIHQFSGVEIHK-FBFNWGNUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (1104120)
ChEBI Ontology
Outgoing Relation(s)
5,6-dihydro-5(S)-acetoxy-6(S)-(1,2-trans propenyl)-2H-pyran-2-one (CHEBI:203844) is a pyranone (CHEBI:37963)
IUPAC Name 
[(2S,3S)-6-oxo-2-[(E)-prop-1-enyl]-2,3-dihydropyran-3-yl] acetate
Manual XrefsDatabases
8234061ChemSpider