CHEBI:199107 - Panepoxydione

ChEBI IDCHEBI:199107
ChEBI NamePanepoxydione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O4
Net Charge0
Average Mass208.213
Monoisotopic Mass208.07356
SMILESCC(C)=C[C@@H](O)C1=CC(=O)[C@@H]2O[C@@H]2C1=O
InChIInChI=1S/C11H12O4/c1-5(2)3-7(12)6-4-8(13)10-11(15-10)9(6)14/h3-4,7,10-12H,1-2H3/t7-,10+,11-/m1/s1
InChIKeySPHYQDXGWOASKY-PPKCKEKNSA-N
Species of MetaboliteComponentSourceComments
Panusspecies (ncbitaxon:1916371) - DOI (10.1002/hlca.19700530704)
ChEBI Ontology
Outgoing Relation(s)
Panepoxydione (CHEBI:199107) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,6R)-3-[(1R)-1-hydroxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
Manual XrefsDatabases
10122982ChemSpider