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CHEBI:108448 - 5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester

Default Structure
ChEBI IDCHEBI:108448
ChEBI Name5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester
Stars
DownloadsMolfile
FormulaC22H14BrNO5
Net Charge0
Average Mass452.260
Monoisotopic Mass451.00553
SMILESCc1cccc(Oc2coc3cc(OC(=O)c4cncc(Br)c4)ccc3c2=O)c1
InChIInChI=1S/C22H14BrNO5/c1-13-3-2-4-16(7-13)28-20-12-27-19-9-17(5-6-18(19)21(20)25)29-22(26)14-8-15(23)11-24-10-14/h2-12H,1H3
InChIKeyLLSXYFJOCGQBQY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester (CHEBI:108448) is a chromones (CHEBI:23238)
Manual XrefsDatabases
LSM-19824LINCS