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CHEBI:187552 - Calopogoniumisoflavone B

ChEBI IDCHEBI:187552
ChEBI NameCalopogoniumisoflavone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H16O5
Net Charge0
Average Mass348.354
Monoisotopic Mass348.09977
SMILESCC1(C)C=Cc2c(ccc3c(=O)c(-c4ccc5c(c4)OCO5)coc23)O1
InChIInChI=1S/C21H16O5/c1-21(2)8-7-13-16(26-21)6-4-14-19(22)15(10-23-20(13)14)12-3-5-17-18(9-12)25-11-24-17/h3-10H,11H2,1-2H3
InChIKeyWVHJQUXAKZCXEP-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 B (CHEBI:187552) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
3-(1,3-benzodioxol-5-yl)-8,8-dimethylpyrano[2,3-]chromen-4-one
Manual XrefsDatabases
LMPK12050052LIPID MAPS
158591ChemSpider
Registry NumbersSources
CAS:62502-14-1ChemIDplus