CHEBI:45820 - methyl syringate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methyl syringate
ChEBI ID CHEBI:45820
Definition A benzoate ester obtained by the formal condensation of carboxy group of syringic acid with methanol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C10H12O5
Net Charge 0
Average Mass 212.19930
Monoisotopic Mass 212.06847
InChI InChI=1S/C10H12O5/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5,11H,1-3H3
InChIKey ZMXJAEGJWHJMGX-UHFFFAOYSA-N
SMILES COC(=O)c1cc(OC)c(O)c(OC)c1
Metabolite of Species Details
Buxus natalensis (IPNI:128681-1) Found in bark (BTO:0001301). MeOH extract of pulverized bark See: PubMed
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing methyl syringate (CHEBI:45820) has functional parent syringic acid (CHEBI:68329)
methyl syringate (CHEBI:45820) has role plant metabolite (CHEBI:76924)
methyl syringate (CHEBI:45820) is a benzoate ester (CHEBI:36054)
methyl syringate (CHEBI:45820) is a dimethoxybenzene (CHEBI:51681)
methyl syringate (CHEBI:45820) is a phenols (CHEBI:33853)
IUPAC Name
methyl 4-hydroxy-3,5-dimethoxybenzoate
Synonym Source
Syringic acid monomethyl ester NIST Chemistry WebBook
Manual Xref Database
SYR PDBeChem
View more database links
Registry Numbers Types Sources
2217524 Reaxys Registry Number Reaxys
884-35-5 CAS Registry Number ChemIDplus
884-35-5 CAS Registry Number NIST Chemistry WebBook
Citation Waiting for Citations Type Source
20954721 PubMed citation Europe PMC
Last Modified
12 May 2015