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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester
ChEBI ID CHEBI:108448
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H14BrNO5
Net Charge 0
Average Mass 452.255
Monoisotopic Mass 451.00554
InChI InChI=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
InChIKey LLSXYFJOCGQBQY-UHFFFAOYSA-N
SMILES CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CN=C4)Br
ChEBI Ontology
Outgoing 5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester (CHEBI:108448) is a chromones (CHEBI:23238)
Manual Xref Database
LSM-19824 LINCS
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