EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H14O2 |
| Net Charge | 0 |
| Average Mass | 154.209 |
| Monoisotopic Mass | 154.09938 |
| SMILES | C[C@@H]1C[C@H]2CC(=O)C[C@H](C2)O1 |
| InChI | InChI=1S/C9H14O2/c1-6-2-7-3-8(10)5-9(4-7)11-6/h6-7,9H,2-5H2,1H3/t6-,7+,9+/m1/s1 |
| InChIKey | YKGNHOUXMGLMIS-FJXKBIBVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1S,3R,5R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one (CHEBI:211948) is a oxanes (CHEBI:46942) |
| IUPAC Name |
|---|
| (1S,3R,5R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one |
| Manual Xrefs | Databases |
|---|---|
| 28637709 | ChemSpider |