CHEBI:84089 - 2,5-dihydroxycinnamic acid methyl ester

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ChEBI Name 2,5-dihydroxycinnamic acid methyl ester
ChEBI ID CHEBI:84089
Definition A cinnamate ester that is the methyl ester of 2,5-dihydroxycinnamic acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H10O4
Net Charge 0
Average Mass 194.18400
Monoisotopic Mass 194.05791
InChI InChI=1S/C10H10O4/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6,11-12H,1H3/b5-2+
InChIKey BQCNSTFWSKOWMA-GORDUTHDSA-N
SMILES COC(=O)\C=C\c1cc(O)ccc1O
Roles Classification
Biological Role(s): human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
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ChEBI Ontology
Outgoing 2,5-dihydroxycinnamic acid methyl ester (CHEBI:84089) has role human urinary metabolite (CHEBI:84087)
2,5-dihydroxycinnamic acid methyl ester (CHEBI:84089) is a cinnamate ester (CHEBI:36087)
2,5-dihydroxycinnamic acid methyl ester (CHEBI:84089) is a hydroquinones (CHEBI:24646)
2,5-dihydroxycinnamic acid methyl ester (CHEBI:84089) is a methyl ester (CHEBI:25248)
IUPAC Name
methyl (2E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
Synonyms Sources
methyl 2,5-dihydroxycinnamate ChEBI
methyl 3-(2',5'dihydroxyphenyl)acrylate ChEBI
methyl grevillate ChEBI
Registry Number Type Source
6968758 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
03 March 2015