EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H18O4 |
| Net Charge | 0 |
| Average Mass | 262.305 |
| Monoisotopic Mass | 262.12051 |
| SMILES | CC1=CC(=O)C2=C(C)CC(O)C3C(C)C(=O)OC3C12 |
| InChI | InChI=1S/C15H18O4/c1-6-4-10(17)13-8(3)15(18)19-14(13)12-7(2)5-9(16)11(6)12/h5,8,10,12-14,17H,4H2,1-3H3 |
| InChIKey | YMUOZXZDDBRJEP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-Hydroxy-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione (CHEBI:181961) is a γ-lactone (CHEBI:37581) |
| IUPAC Name |
|---|
| 4-hydroxy-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]uran-2,7-dione |
| Manual Xrefs | Databases |
|---|---|
| 89537 | ChemSpider |