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CHEBI:185207 - Mundulone

ChEBI IDCHEBI:185207
ChEBI NameMundulone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H26O6
Net Charge0
Average Mass434.488
Monoisotopic Mass434.17294
SMILESCOc1c(-c2coc3cc4c(cc3c2=O)CC(O)C(C)(C)O4)ccc2c1C=CC(C)(C)O2
InChIInChI=1S/C26H26O6/c1-25(2)9-8-16-19(31-25)7-6-15(24(16)29-5)18-13-30-21-12-20-14(10-17(21)23(18)28)11-22(27)26(3,4)32-20/h6-10,12-13,22,27H,11H2,1-5H3
InChIKeyKJTDZAHLWHEULN-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)
Mundulone (CHEBI:185207) is a isoflavanones (CHEBI:38741)
IUPAC Name 
3-hydroxy-7-(5-methoxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
Manual XrefsDatabases
3780234ChemSpider
LMPK12050079LIPID MAPS
Registry NumbersSources
CAS:481-94-7ChemIDplus