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CHEBI:11594 - 2-coumarate

ChEBI IDCHEBI:11594
ChEBI Name2-coumarate
Stars
DefinitionA coumarate that is the conjugate base of 2-coumaric acid.
Last Modified19 March 2019
DownloadsMolfile
FormulaC9H7O3
Net Charge-1
Average Mass163.152
Monoisotopic Mass163.04007
SMILES[H]C(=Cc1ccccc1O)C(=O)[O-]
InChIInChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/p-1
InChIKeyPMOWTIHVNWZYFI-UHFFFAOYSA-M
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
2-coumarate (CHEBI:11594) has role plant metabolite (CHEBI:76924)
2-coumarate (CHEBI:11594) is a coumarate (CHEBI:23399)
2-coumarate (CHEBI:11594) is conjugate base of 2-coumaric acid (CHEBI:18176)
Incoming Relation(s)
cis-2-coumarate (CHEBI:47921) is a 2-coumarate (CHEBI:11594)
trans-2-coumarate (CHEBI:12875) is a 2-coumarate (CHEBI:11594)
2-coumaric acid (CHEBI:18176) is conjugate acid of 2-coumarate (CHEBI:11594)
IUPAC Name 
3-(2-hydroxyphenyl)prop-2-enoate
Synonym  Source
3-(2-hydroxyphenyl)acrylateChEBI
Registry NumbersSources
Gmelin:1146630Gmelin
Beilstein:7022193Beilstein