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CHEBI:71303 - feruloylacetic acid

ChEBI IDCHEBI:71303
ChEBI Nameferuloylacetic acid
Stars
DefinitionA 3-oxo monocarboxylic acid that is 3-oxopent-4-enoic acid substituted at position 5 by a 4-hydroxy-3-methoxyphenyl group.
Last Modified30 November 2012
SubmitterSteve
DownloadsMolfile
FormulaC12H12O5
Net Charge0
Average Mass236.223
Monoisotopic Mass236.06847
SMILESCOc1cc(C=CC(=O)CC(=O)O)ccc1O
InChIInChI=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)
InChIKeyCXMRDTYDEINMSY-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)
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)acetateChEBI