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CHEBI:168284 - Citreovirenone

ChEBI IDCHEBI:168284
ChEBI NameCitreovirenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O4
Net Charge0
Average Mass248.278
Monoisotopic Mass248.10486
SMILESCOc1cc(O)cc(CC2=CC(=O)C[C@H](C)O2)c1
InChIInChI=1S/C14H16O4/c1-9-3-11(15)8-14(18-9)6-10-4-12(16)7-13(5-10)17-2/h4-5,7-9,16H,3,6H2,1-2H3/t9-/m0/s1
InChIKeyWMCPLZDBHVOXCJ-VIFPVBQESA-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)
Citreovirenone (CHEBI:168284) is a methoxybenzenes (CHEBI:51683)
Citreovirenone (CHEBI:168284) is a phenols (CHEBI:33853)
IUPAC Name 
(2S)-6-[(3-hydroxy-5-methoxyphenyl)methyl]-2-methyl-2,3-dihydropyran-4-one