EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H18O2 |
| Net Charge | 0 |
| Average Mass | 206.285 |
| Monoisotopic Mass | 206.13068 |
| SMILES | CCCCCc1ccc(CC(=O)O)cc1 |
| InChI | InChI=1S/C13H18O2/c1-2-3-4-5-11-6-8-12(9-7-11)10-13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15) |
| InChIKey | YAAVVJAWWNQMCY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(4-pentylphenyl)acetic acid (CHEBI:107532) is a benzenes (CHEBI:22712) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18888 | LINCS |