EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C8H8O4 |
| Net Charge | 0 |
| Average Mass | 168.148 |
| Monoisotopic Mass | 168.04226 |
| SMILES | COC(=O)c1cc(C)cc(=O)o1 |
| InChI | InChI=1S/C8H8O4/c1-5-3-6(8(10)11-2)12-7(9)4-5/h3-4H,1-2H3 |
| InChIKey | SPRJFRZJUCOGBC-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bombus terrestris (ncbitaxon:30195) | |||
| hindgut (BTO:0000510) | MetaboLights (MTBLS3637) | ||
| brain (BTO:0000142) | MetaboLights (MTBLS3637) | ||
| hemolymph (BTO:0000572) | MetaboLights (MTBLS3637) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methyl 4-methyl-2-oxo-2H-pyran-6-carboxylate (CHEBI:183333) is a pyranone (CHEBI:37963) |
| IUPAC Name |
|---|
| methyl 4-methyl-6-oxopyran-2-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 2021183 | ChemSpider |