EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H20O5 |
| Net Charge | 0 |
| Average Mass | 292.331 |
| Monoisotopic Mass | 292.13107 |
| SMILES | COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)OC |
| InChI | InChI=1S/C16H20O5/c1-16(2,20-4)13(17)9-11-12(19-3)7-5-10-6-8-14(18)21-15(10)11/h5-8,13,17H,9H2,1-4H3 |
| InChIKey | VRCXJKSBSNVDFC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxy-1-benzopyran-2-one (CHEBI:93792) is a coumarins (CHEBI:23403) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4309 | LINCS |