EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H12O2 |
| Net Charge | 0 |
| Average Mass | 140.182 |
| Monoisotopic Mass | 140.08373 |
| SMILES | C=C=CC(C)C(=O)OCC |
| InChI | InChI=1S/C8H12O2/c1-4-6-7(3)8(9)10-5-2/h6-7H,1,5H2,2-3H3 |
| InChIKey | DDZLNKMWFGDTAX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ethyl 2-methyl-3,4-pentadienoate (CHEBI:195726) is a fatty acid ester (CHEBI:35748) |
| Manual Xrefs | Databases |
|---|---|
| 55993 | ChemSpider |
| HMDB0037196 | HMDB |