EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H20O2 |
| Net Charge | 0 |
| Average Mass | 196.290 |
| Monoisotopic Mass | 196.14633 |
| SMILES | C[C@H]1CCCCCC/C=C\CC(=O)O1 |
| InChI | InChI=1S/C12H20O2/c1-11-9-7-5-3-2-4-6-8-10-12(13)14-11/h6,8,11H,2-5,7,9-10H2,1H3/b8-6-/t11-/m0/s1 |
| InChIKey | IIBFPGGSICFOHJ-JYKYSHPRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| S-Cucujolide II (CHEBI:195915) is a macrolide (CHEBI:25106) |
| IUPAC Name |
|---|
| (4Z,12S)-12-methyl-1-oxacyclododec-4-en-2-one |
| Manual Xrefs | Databases |
|---|---|
| 4945032 | ChemSpider |
| LMFA07040034 | LIPID MAPS |