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CHEBI:210746 - Pestalone C

ChEBI IDCHEBI:210746
ChEBI NamePestalone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H19BrO6
Net Charge0
Average Mass435.270
Monoisotopic Mass434.03650
SMILESCC(C)=CCc1c(O)cc(O)c(C=O)c1C(=O)c1c(O)cc(C)c(Br)c1O
InChIInChI=1S/C20H19BrO6/c1-9(2)4-5-11-13(23)7-14(24)12(8-22)16(11)19(26)17-15(25)6-10(3)18(21)20(17)27/h4,6-8,23-25,27H,5H2,1-3H3
InChIKeyXQQMKKZSDZTYML-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis neglecta (ncbitaxon:173184) - PubMed (31829592)
ChEBI Ontology
Outgoing Relation(s)
Pestalone C (CHEBI:210746) is a benzophenones (CHEBI:22726)
IUPAC Name 
2-(3-bromo-2,6-dihydroxy-4-methylbenzoyl)-4,6-dihydroxy-3-(3-methylbut-2-enyl)benzaldehyde
Manual XrefsDatabases
81361120ChemSpider