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CHEBI:219902 - 4-bromopinselin

Default Structure
ChEBI IDCHEBI:219902
ChEBI Name4-bromopinselin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H11BrO6
Net Charge0
Average Mass379.162
Monoisotopic Mass377.97390
SMILESCOC(=O)c1c(O)cc(Br)c2oc3cc(C)cc(O)c3c(=O)c12
InChIInChI=1S/C16H11BrO6/c1-6-3-8(18)11-10(4-6)23-15-7(17)5-9(19)12(16(21)22-2)13(15)14(11)20/h3-5,18-19H,1-2H3
InChIKeyHOJNNGKFUVBUTP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Monilinia fructicola (ncbitaxon:38448) - PubMed (3949629)
ChEBI Ontology
Outgoing Relation(s)
4-bromopinselin (CHEBI:219902) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl 4-bromo-2,8-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylate
Manual XrefsDatabases
52085426ChemSpider