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CHEBI:184452 - Comptonin

ChEBI IDCHEBI:184452
ChEBI NameComptonin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O4
Net Charge0
Average Mass284.311
Monoisotopic Mass284.10486
SMILESCOc1c(C)c(O)cc2c1C(=O)CC(c1ccccc1)O2
InChIInChI=1S/C17H16O4/c1-10-12(18)8-15-16(17(10)20-2)13(19)9-14(21-15)11-6-4-3-5-7-11/h3-8,14,18H,9H2,1-2H3
InChIKeyVWTJLHQGHXGHKG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Comptonin (CHEBI:184452) is a ether (CHEBI:25698)
Comptonin (CHEBI:184452) is a flavonoids (CHEBI:72544)
IUPAC Name 
7-hydroxy-5-methoxy-6-methyl-2-phenyl-2,3-dihydrochromen-4-one
Manual XrefsDatabases
LMPK12140188LIPID MAPS
10305891ChemSpider