EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:195885 - Tsibulin 2
| Formula | C11H18O2 |
| Net Charge | 0 |
| Average Mass | 182.263 |
| Monoisotopic Mass | 182.13068 |
| SMILES | CCCCCCC1CC(=O)CC1=O |
| InChI | InChI=1S/C11H18O2/c1-2-3-4-5-6-9-7-10(12)8-11(9)13/h9H,2-8H2,1H3 |
| InChIKey | XVMHOOYMJFUEQW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tsibulin 2 (CHEBI:195885) is a β-diketone (CHEBI:67265) |
| IUPAC Name |
|---|
| 4-hexylcyclopentane-1,3-dione |
| Manual Xrefs | Databases |
|---|---|
| HMDB0037388 | HMDB |
| 13512621 | ChemSpider |