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CHEBI:185881 - Pumilaisoflavone A

ChEBI IDCHEBI:185881
ChEBI NamePumilaisoflavone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O7
Net Charge0
Average Mass464.514
Monoisotopic Mass464.18350
SMILESC=CC(C)(C)Oc1c(OC)cc(-c2coc3cc4c(c(O)c3c2=O)C=CC(C)(C)O4)cc1OC
InChIInChI=1S/C27H28O7/c1-8-26(2,3)34-25-20(30-6)11-15(12-21(25)31-7)17-14-32-19-13-18-16(9-10-27(4,5)33-18)23(28)22(19)24(17)29/h8-14,28H,1H2,2-7H3
InChIKeyKUMFNGIFCQBBKW-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)
Pumilaisoflavone A (CHEBI:185881) is a isoflavanones (CHEBI:38741)
IUPAC Name 
7-[3,5-dimethoxy-4-(2-methylbut-3-en-2-yloxy)phenyl]-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
Manual XrefsDatabases
LMPK12050272LIPID MAPS
24842810ChemSpider