EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C7H12O2 |
| Net Charge | 0 |
| Average Mass | 128.171 |
| Monoisotopic Mass | 128.08373 |
| SMILES | C[C@@H]1CC[C@H](C)OC1=O |
| InChI | InChI=1S/C7H12O2/c1-5-3-4-6(2)9-7(5)8/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1 |
| InChIKey | QVPKQLPQAUWJAE-RITPCOANSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cis-2-Methyl-5-hexanolide (CHEBI:179465) is a δ-lactone (CHEBI:18946) |
| IUPAC Name |
|---|
| (3R,6S)-3,6-dimethyloxan-2-one |
| Manual Xrefs | Databases |
|---|---|
| 9291211 | ChemSpider |
| LMFA07040011 | LIPID MAPS |