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CHEBI:212804 - 4,4'-dimethoxy-5,5'-dimethyl-7,7'-oxydicoumarin

ChEBI IDCHEBI:212804
ChEBI Name4,4'-dimethoxy-5,5'-dimethyl-7,7'-oxydicoumarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H18O7
Net Charge0
Average Mass394.379
Monoisotopic Mass394.10525
SMILESCOc1cc(=O)oc2cc(Oc3cc(C)c4c(OC)cc(=O)oc4c3)cc(C)c12
InChIInChI=1S/C22H18O7/c1-11-5-13(7-17-21(11)15(25-3)9-19(23)28-17)27-14-6-12(2)22-16(26-4)10-20(24)29-18(22)8-14/h5-10H,1-4H3
InChIKeyVRJLIEGLWIKDIY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (28825634)
ChEBI Ontology
Outgoing Relation(s)
4,4'-dimethoxy-5,5'-dimethyl-7,7'-oxydicoumarin (CHEBI:212804) is a coumarins (CHEBI:23403)
IUPAC Name 
4-methoxy-7-(4-methoxy-5-methyl-2-oxochromen-7-yl)oxy-5-methylchromen-2-one
Manual XrefsDatabases
64186247ChemSpider