EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H20O4 |
| Net Charge | 0 |
| Average Mass | 288.343 |
| Monoisotopic Mass | 288.13616 |
| SMILES | CCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 |
| InChI | InChI=1S/C17H20O4/c1-3-4-5-6-7-16(18)20-13-8-9-14-12(2)10-17(19)21-15(14)11-13/h8-11H,3-7H2,1-2H3 |
| InChIKey | FFNBFZWIBOIPIV-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | feces (BTO:0000440) | MetaboLights (MTBLS9087) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-Methylumbelliferyl heptanoate (CHEBI:231300) is a coumarins (CHEBI:23403) |
| IUPAC Name |
|---|
| (4-methyl-2-oxochromen-7-yl) heptanoate |
| Manual Xrefs | Databases |
|---|---|
| 79010 | ChemSpider |