CHEBI:71303 - feruloylacetic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name feruloylacetic acid ChEBI ID CHEBI:71303 Definition A 3-oxo monocarboxylic acid that is 3-oxopent-4-enoic acid substituted at position 5 by a 4-hydroxy-3-methoxyphenyl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H12O5 Net Charge 0 Average Mass 236.22070 Monoisotopic Mass 236.06847 InChI InChI=1S/C12H12O5/c1-17-11-6-8(3-5-10(11)14)2-4-9(13)7-12(15)16/h2-6,14H,7H2,1H3,(H,15,16) InChIKey CXMRDTYDEINMSY-UHFFFAOYSA-N SMILES COc1cc(C=CC(=O)CC(O)=O)ccc1O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing feruloylacetic acid (CHEBI:71303) has functional parent cinnamic acid (CHEBI:27386) feruloylacetic acid (CHEBI:71303) is a 3-oxo monocarboxylic acid (CHEBI:47881) feruloylacetic acid (CHEBI:71303) is a aromatic ether (CHEBI:35618) feruloylacetic acid (CHEBI:71303) is a enone (CHEBI:51689) feruloylacetic acid (CHEBI:71303) is a phenols (CHEBI:33853) IUPAC Name 5-(4-hydroxy-3-methoxyphenyl)-3-oxopent-4-enoic acid Synonym Source (4-hydroxy-3-methoxycinnamoyl)acetate ChEBI Last Modified 30 November 2012