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CHEBI:178569 - Angustone B

ChEBI IDCHEBI:178569
ChEBI NameAngustone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H24O6
Net Charge0
Average Mass420.461
Monoisotopic Mass420.15729
SMILESCC(C)=CCc1c(O)cc2occ(-c3ccc4c(c3O)C=CC(C)(C)O4)c(=O)c2c1O
InChIInChI=1S/C25H24O6/c1-13(2)5-6-15-18(26)11-20-21(23(15)28)24(29)17(12-30-20)14-7-8-19-16(22(14)27)9-10-25(3,4)31-19/h5,7-12,26-28H,6H2,1-4H3
InChIKeyQQUXNFZAFOMGTQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Angustone B (CHEBI:178569) is a isoflavanones (CHEBI:38741)
IUPAC Name 
5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-methylbut-2-enyl)chromen-4-one
Manual XrefsDatabases
4587185ChemSpider
LMPK12050322LIPID MAPS
Registry NumbersSources
CAS:100462-54-2ChemIDplus