CHEBI:11594 - 2-coumarate

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ChEBI Name 2-coumarate
ChEBI ID CHEBI:11594
Definition A coumarate that is the conjugate base of 2-coumaric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H7O3
Net Charge -1
Average Mass 163.15008
Monoisotopic Mass 163.04007
InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/p-1
InChIKey PMOWTIHVNWZYFI-UHFFFAOYSA-M
SMILES [H]C(=Cc1ccccc1O)C([O-])=O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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 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)acrylate ChEBI
Registry Numbers Types Sources
1146630 Gmelin Registry Number Gmelin
7022193 Beilstein Registry Number Beilstein
Last Modified
19 March 2019