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CHEBI:145828 - methyl 3,4,5-trihydroxybenzoate
| Formula | C8H8O5 |
| Net Charge | 0 |
| Average Mass | 184.147 |
| Monoisotopic Mass | 184.03717 |
| SMILES | COC(=O)c1cc(O)c(O)c(O)c1 |
| InChI | InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3 |
| InChIKey | FBSFWRHWHYMIOG-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Terminalia myriocarpa (ncbitaxon:578554) | leaf (BTO:0000713) | PubMed (12094296) | |
| Geranium niveum (IPNI:109230-2) | - | PubMed (10346950) | |
| Acer saccharinum (ncbitaxon:75745) | leaf (BTO:0000713) | PubMed (2437251) | |
| Paeonia anomala (ncbitaxon:40698) | fruit (BTO:0000486) | DOI (10.1055/s-0032-1328062) | |
| Alchornea cordifolia (ncbitaxon:316697) | bark (BTO:0001301) | PubMed (30886338) | Isolated from stem bark. |
| Paeonia suffruticosa (ncbitaxon:45171) | bark (BTO:0001301) | PubMed (31557976) | Isolated from root bark. |
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Application: | anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methyl 3,4,5-trihydroxybenzoate (CHEBI:145828) has role anti-inflammatory agent (CHEBI:67079) |
| methyl 3,4,5-trihydroxybenzoate (CHEBI:145828) has role antioxidant (CHEBI:22586) |
| methyl 3,4,5-trihydroxybenzoate (CHEBI:145828) has role plant metabolite (CHEBI:76924) |
| methyl 3,4,5-trihydroxybenzoate (CHEBI:145828) is a gallate ester (CHEBI:37576) |
| IUPAC Name |
|---|
| methyl 3,4,5-trihydroxybenzoate |
| Synonyms | Source |
|---|---|
| methyl gallate | ChemIDplus |
| gallic acid methyl ester | ChemIDplus |
| methylgallate | ChemIDplus |
| 3,4,5-trihydroxy-benzoic acid methyl ester | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| Methyl_gallate | Wikipedia |
| FDB000663 | FooDB |
| C00030754 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2113180 | Reaxys |
| CAS:99-24-1 | ChemIDplus |
| Citations |
|---|