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CHEBI:211741 - 4-Oxo-b-ionone

ChEBI IDCHEBI:211741
ChEBI Name4-Oxo-b-ionone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O2
Net Charge0
Average Mass206.285
Monoisotopic Mass206.13068
SMILESCC(=O)/C=C/C1=C(C)C(=O)CCC1(C)C
InChIInChI=1S/C13H18O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6H,7-8H2,1-4H3/b6-5+
InChIKeyOBHGOXFSRVNKBS-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Plectonemaspecies (ncbitaxon:29414) - DOI (10.1002/ffj.1464)
ChEBI Ontology
Outgoing Relation(s)
4-Oxo-b-ionone (CHEBI:211741) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
Manual XrefsDatabases
HMDB0303900HMDB
4516172ChemSpider