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CHEBI:111432 - 3-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-oxo-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid

ChEBI IDCHEBI:111432
ChEBI Name3-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-oxo-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid
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DownloadsMolfile
FormulaC22H20N4O6
Net Charge0
Average Mass436.424
Monoisotopic Mass436.13828
SMILESCOc1ccc(C(=O)Cn2c(=O)c(CCC(=O)O)nn3c4ccccc4nc23)cc1OC
InChIInChI=1S/C22H20N4O6/c1-31-18-9-7-13(11-19(18)32-2)17(27)12-25-21(30)15(8-10-20(28)29)24-26-16-6-4-3-5-14(16)23-22(25)26/h3-7,9,11H,8,10,12H2,1-2H3,(H,28,29)
InChIKeyAEWZLQMPHQVZPN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-oxo-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid (CHEBI:111432) is a aromatic ketone (CHEBI:76224)
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