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CHEBI:107645 - 2-cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 2-thiophen-2-ylethyl ester

ChEBI IDCHEBI:107645
ChEBI Name2-cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 2-thiophen-2-ylethyl ester
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FormulaC16H13NO4S
Net Charge0
Average Mass315.350
Monoisotopic Mass315.05653
SMILESN#CC(=Cc1ccc(O)c(O)c1)C(=O)OCCc1cccs1
InChIInChI=1S/C16H13NO4S/c17-10-12(8-11-3-4-14(18)15(19)9-11)16(20)21-6-5-13-2-1-7-22-13/h1-4,7-9,18-19H,5-6H2
InChIKeyKCGLTUBCAGZLHP-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)
2-cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 2-thiophen-2-ylethyl ester (CHEBI:107645) is a hydroxycinnamic acid (CHEBI:24689)
Manual XrefsDatabases
LSM-19011LINCS