EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:183334 - 4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid
| Formula | C9H8O4 |
| Net Charge | 0 |
| Average Mass | 180.159 |
| Monoisotopic Mass | 180.04226 |
| SMILES | O=C(O)c1coc2c1C(=O)CCC2 |
| InChI | InChI=1S/C9H8O4/c10-6-2-1-3-7-8(6)5(4-13-7)9(11)12/h4H,1-3H2,(H,11,12) |
| InChIKey | FABBWECRHZNMDQ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bombus terrestris (ncbitaxon:30195) | |||
| brain (BTO:0000142) | MetaboLights (MTBLS3637) | ||
| hindgut (BTO:0000510) | MetaboLights (MTBLS3637) | ||
| hemolymph (BTO:0000572) | MetaboLights (MTBLS3637) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid (CHEBI:183334) is a benzofurans (CHEBI:35259) |
| IUPAC Name |
|---|
| 4-oxo-6,7-dihydro-5H-1-benzouran-3-carboxylic acid |