EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H14O3 |
| Net Charge | 0 |
| Average Mass | 170.208 |
| Monoisotopic Mass | 170.09429 |
| SMILES | C[C@H]1O[C@@H]2CCC(=O)[C@@H](C2)[C@@H]1O |
| InChI | InChI=1S/C9H14O3/c1-5-9(11)7-4-6(12-5)2-3-8(7)10/h5-7,9,11H,2-4H2,1H3/t5-,6-,7-,9-/m1/s1 |
| InChIKey | UPXSKTXRAKBFLO-JXOAFFINSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-Hydroxy-3-methyl-2-oxabicyclo[3.3.1]non-6-one (CHEBI:198920) is a oxanes (CHEBI:46942) |
| IUPAC Name |
|---|
| (1R,3R,4S,5S)-4-hydroxy-3-methyl-2-oxabicyclo[3.3.1]nonan-6-one |
| Manual Xrefs | Databases |
|---|---|
| 78442465 | ChemSpider |