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CHEBI:168292 - Annuionone C

ChEBI IDCHEBI:168292
ChEBI NameAnnuionone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O3
Net Charge0
Average Mass224.300
Monoisotopic Mass224.14124
SMILESCC(O)/C=C/C12OC1(C)CC(=O)CC2(C)C
InChIInChI=1S/C13H20O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,9,14H,7-8H2,1-4H3/b6-5+
InChIKeyDZVNWYFIADDOQC-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Annuionone C (CHEBI:168292) is a oxacycle (CHEBI:38104)
IUPAC Name 
6-[(E)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-one
Manual XrefsDatabases
HMDB0032689HMDB
8096559ChemSpider