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CHEBI:178568 - Isoauriculatin

ChEBI IDCHEBI:178568
ChEBI NameIsoauriculatin
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FormulaC25H24O6
Net Charge0
Average Mass420.461
Monoisotopic Mass420.15729
SMILESCC(C)=CCOc1ccc(-c2coc3cc4c(c(O)c3c2=O)C=CC(C)(C)O4)c(O)c1
InChIInChI=1S/C25H24O6/c1-14(2)8-10-29-15-5-6-16(19(26)11-15)18-13-30-21-12-20-17(7-9-25(3,4)31-20)23(27)22(21)24(18)28/h5-9,11-13,26-27H,10H2,1-4H3
InChIKeyJVMXBCHVJJXDDN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isoauriculatin (CHEBI:178568) is a isoflavanones (CHEBI:38741)
IUPAC Name 
5-hydroxy-7-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,2-dimethylpyrano[3,2-g]chromen-6-one
Manual XrefsDatabases
LMPK12050314LIPID MAPS
4590626ChemSpider
Registry NumbersSources
CAS:30431-67-5ChemIDplus