EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H20O3 |
| Net Charge | 0 |
| Average Mass | 212.289 |
| Monoisotopic Mass | 212.14124 |
| SMILES | CC(C)=CC[C@H]1C[C@@H](CCO)COC1=O |
| InChI | InChI=1S/C12H20O3/c1-9(2)3-4-11-7-10(5-6-13)8-15-12(11)14/h3,10-11,13H,4-8H2,1-2H3/t10-,11+/m1/s1 |
| InChIKey | MNEILUOMSXRVCB-MNOVXSKESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Boreostereum vibrans (ncbitaxon:1826779) | - | PubMed (29715540) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Vibralactone Y (CHEBI:217859) is a δ-lactone (CHEBI:18946) |
| IUPAC Name |
|---|
| (3S,5S)-5-(2-hydroxyethyl)-3-(3-methylbut-2-enyl)oxan-2-one |