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CHEBI:193019 - alpha-guaiaconic acid
| Formula | C20H20O5 |
| Net Charge | 0 |
| Average Mass | 340.375 |
| Monoisotopic Mass | 340.13107 |
| SMILES | COc1cc(-c2oc(-c3ccc(O)c(OC)c3)c(C)c2C)ccc1O |
| InChI | InChI=1S/C20H20O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-10,21-22H,1-4H3 |
| InChIKey | OIXPKFRMEUTHOG-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rattus norvegicus (ncbitaxon:10116) | cecum (BTO:0000166) | MetaboLights (MTBLS3943) | Strain: Sprague Dawley [EFO:0001352] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| alpha-guaiaconic acid (CHEBI:193019) is a furans (CHEBI:24129) |
| IUPAC Name |
|---|
| 4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyluran-2-yl]-2-methoxyphenol |
| Manual Xrefs | Databases |
|---|---|
| 145298 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:10035-27-5 | ChemIDplus |