EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:167081 - Methyl 2-Furancarboxylate
| Formula | C6H6O3 |
| Net Charge | 0 |
| Average Mass | 126.111 |
| Monoisotopic Mass | 126.03169 |
| SMILES | COC(=O)c1ccco1 |
| InChI | InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3 |
| InChIKey | HDJLSECJEQSPKW-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Tuber magnatum (ncbitaxon:42249) | fruit body (BTO:0000487) | MetaboLights (MTBLS808) | Strain: Tuber magnatum Pico |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Methyl 2-Furancarboxylate (CHEBI:167081) has functional parent 2-furoic acid (CHEBI:30845) |
| Methyl 2-Furancarboxylate (CHEBI:167081) is a carboxylic ester (CHEBI:33308) |
| IUPAC Name |
|---|
| methyl uran-2-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 11408 | ChemSpider |
| HMDB0029750 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:611-13-2 | ChemIDplus |