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 | CC1CCCC2CC(=O)C(C=O)=CC12C |
| InChI | InChI=1S/C13H18O2/c1-9-4-3-5-11-6-12(15)10(8-14)7-13(9,11)2/h7-9,11H,3-6H2,1-2H3 |
| InChIKey | QJHOMNLQPDCBJF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 10β-12,13-dinor-8-oxo-6-eremophilen-11-al (CHEBI:138757) is a cyclohexenones (CHEBI:48953) |
| Synonym | Source |
|---|---|
| 8,8a-dimethyl-3-oxo-3,4,4a,5,6,7,8,8a-octahydro-2-naphthalenecarbaldehyde | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 35014442 | ChemSpider |
| HMDB0037604 | HMDB |