EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H18O4 |
| Net Charge | 0 |
| Average Mass | 226.272 |
| Monoisotopic Mass | 226.12051 |
| SMILES | CCCCOC(=O)C1=CC(=O)CC(C)(C)O1 |
| InChI | InChI=1S/C12H18O4/c1-4-5-6-15-11(14)10-7-9(13)8-12(2,3)16-10/h7H,4-6,8H2,1-3H3 |
| InChIKey | OKIJSNGRQAOIGZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Butopyronoxyl (CHEBI:82262) is a carbonyl compound (CHEBI:36586) |
| Butopyronoxyl (CHEBI:82262) is a pyrans (CHEBI:26407) |