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CHEBI:222738 - Pestalone

ChEBI IDCHEBI:222738
ChEBI NamePestalone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20Cl2O6
Net Charge0
Average Mass439.291
Monoisotopic Mass438.06369
SMILESCOc1c(Cl)c(C)c(Cl)c(O)c1C(=O)c1c(C=O)c(O)cc(O)c1CC=C(C)C
InChIInChI=1S/C21H20Cl2O6/c1-9(2)5-6-11-13(25)7-14(26)12(8-24)15(11)19(27)16-20(28)17(22)10(3)18(23)21(16)29-4/h5,7-8,25-26,28H,6H2,1-4H3
InChIKeyACRANQNXYMAQKJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiaspecies (ncbitaxon:2026558) - PubMed (11720529)
ChEBI Ontology
Outgoing Relation(s)
Pestalone (CHEBI:222738) is a benzophenones (CHEBI:22726)
IUPAC Name 
2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylbenzoyl)-4,6-dihydroxy-3-(3-methylbut-2-enyl)benzaldehyde
Manual XrefsDatabases
8247418ChemSpider