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CHEBI:223727 - Luteoxepinone

ChEBI IDCHEBI:223727
ChEBI NameLuteoxepinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12O4
Net Charge0
Average Mass184.191
Monoisotopic Mass184.07356
SMILESCOC1=CC(=O)OCC(C)=C1CO
InChIInChI=1S/C9H12O4/c1-6-5-13-9(11)3-8(12-2)7(6)4-10/h3,10H,4-5H2,1-2H3
InChIKeySRYRNAKEOZHFCU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Neofusicoccumspecies (ncbitaxon:1921445) - PubMed (31951128)
ChEBI Ontology
Outgoing Relation(s)
Luteoxepinone (CHEBI:223727) is a enol ether (CHEBI:47985)
Luteoxepinone (CHEBI:223727) is a enone (CHEBI:51689)
IUPAC Name 
4-(hydroxymethyl)-5-methoxy-3-methyl-2H-oxepin-7-one
Manual XrefsDatabases
101935267ChemSpider