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CHEBI:108133 - 3-[3-(2-hydroxyethylsulfamoyl)-4,5-dimethoxyphenyl]-2-propenoic acid

ChEBI IDCHEBI:108133
ChEBI Name3-[3-(2-hydroxyethylsulfamoyl)-4,5-dimethoxyphenyl]-2-propenoic acid
Stars
DownloadsMolfile
FormulaC13H17NO7S
Net Charge0
Average Mass331.346
Monoisotopic Mass331.07257
SMILESCOc1cc(C=CC(=O)O)cc(S(=O)(=O)NCCO)c1OC
InChIInChI=1S/C13H17NO7S/c1-20-10-7-9(3-4-12(16)17)8-11(13(10)21-2)22(18,19)14-5-6-15/h3-4,7-8,14-15H,5-6H2,1-2H3,(H,16,17)
InChIKeyUYHIQEDZRDRQEH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-[3-(2-hydroxyethylsulfamoyl)-4,5-dimethoxyphenyl]-2-propenoic acid (CHEBI:108133) is a hydroxycinnamic acid (CHEBI:24689)
Manual XrefsDatabases
LSM-19510LINCS