EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H32O2 |
| Net Charge | 0 |
| Average Mass | 328.496 |
| Monoisotopic Mass | 328.24023 |
| SMILES | CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C |
| InChI | InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3 |
| InChIKey | QGNJRVVDBSJHIZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| acetic acid [3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] ester (CHEBI:94695) is a retinoid (CHEBI:26537) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5736 | LINCS |