CHEBI:109845 - 4-(3-amino-5-bromo-2-benzofuranyl)-4-oxobutanoic acid methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(3-amino-5-bromo-2-benzofuranyl)-4-oxobutanoic acid methyl ester
ChEBI ID CHEBI:109845
Stars This entity has been manually annotated by a third party.
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Formula C13H12BrNO4
Net Charge 0
Average Mass 326.143
Monoisotopic Mass 324.99497
InChI InChI=1S/C13H12BrNO4/c1-18-11(17)5-3-9(16)13-12(15)8-6-7(14)2-4-10(8)19-13/h2,4,6H,3,5,15H2,1H3
InChIKey FKMIASWZTUXLNT-UHFFFAOYSA-N
SMILES COC(=O)CCC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)N
ChEBI Ontology
Outgoing 4-(3-amino-5-bromo-2-benzofuranyl)-4-oxobutanoic acid methyl ester (CHEBI:109845) is a benzofurans (CHEBI:35259)
Manual Xref Database
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