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CHEBI:185774 - Calopogoniumisoflavone A

ChEBI IDCHEBI:185774
ChEBI NameCalopogoniumisoflavone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O4
Net Charge0
Average Mass334.371
Monoisotopic Mass334.12051
SMILESCOc1ccc(-c2coc3c4c(ccc3c2=O)OC(C)(C)C=C4)cc1
InChIInChI=1S/C21H18O4/c1-21(2)11-10-15-18(25-21)9-8-16-19(22)17(12-24-20(15)16)13-4-6-14(23-3)7-5-13/h4-12H,1-3H3
InChIKeyQLPJSBWLIFSIMS-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)
Calopogoniumisoflavone A (CHEBI:185774) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
3-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-]chromen-4-one
Manual XrefsDatabases
314355ChemSpider
LMPK12050035LIPID MAPS