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CHEBI:210776 - Pestalone H

ChEBI IDCHEBI:210776
ChEBI NamePestalone H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20BrClO6
Net Charge0
Average Mass483.742
Monoisotopic Mass482.01318
SMILESCOc1c(Br)c(C)c(Cl)c(O)c1C(=O)c1c(C=O)c(O)cc(O)c1CC=C(C)C
InChIInChI=1S/C21H20BrClO6/c1-9(2)5-6-11-13(25)7-14(26)12(8-24)15(11)19(27)16-20(28)18(23)10(3)17(22)21(16)29-4/h5,7-8,25-26,28H,6H2,1-4H3
InChIKeyDZDZYEALCRGGDE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis neglecta (ncbitaxon:173184) - PubMed (31829592)
ChEBI Ontology
Outgoing Relation(s)
Pestalone H (CHEBI:210776) is a benzophenones (CHEBI:22726)
IUPAC Name 
2-(5-bromo-3-chloro-2-hydroxy-6-methoxy-4-methylbenzoyl)-4,6-dihydroxy-3-(3-methylbut-2-enyl)benzaldehyde
Manual XrefsDatabases
81361125ChemSpider