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CHEBI:94304 - 3-[[5-[[5-(4-carboxyphenyl)-2-furanyl]methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid

ChEBI IDCHEBI:94304
ChEBI Name3-[[5-[[5-(4-carboxyphenyl)-2-furanyl]methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid
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DownloadsMolfile
FormulaC22H14N2O6S
Net Charge0
Average Mass434.429
Monoisotopic Mass434.05726
SMILESO=C1N=C(Nc2cccc(C(=O)O)c2)SC1=Cc1ccc(-c2ccc(C(=O)O)cc2)o1
InChIInChI=1S/C22H14N2O6S/c25-19-18(31-22(24-19)23-15-3-1-2-14(10-15)21(28)29)11-16-8-9-17(30-16)12-4-6-13(7-5-12)20(26)27/h1-11H,(H,26,27)(H,28,29)(H,23,24,25)
InChIKeyXVWCAOUMDSZQPB-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-[[5-[[5-(4-carboxyphenyl)-2-furanyl]methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid (CHEBI:94304) is a aminobenzoic acid (CHEBI:22495)
Manual XrefsDatabases
LSM-4939LINCS