EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H17NO3 |
| Net Charge | 0 |
| Average Mass | 295.338 |
| Monoisotopic Mass | 295.12084 |
| SMILES | CCCc1cc2c(=O)c(-c3ccccn3)c(C)oc2cc1O |
| InChI | InChI=1S/C18H17NO3/c1-3-6-12-9-13-16(10-15(12)20)22-11(2)17(18(13)21)14-7-4-5-8-19-14/h4-5,7-10,20H,3,6H2,1-2H3 |
| InChIKey | FJAZHJWLZLBNNC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-hydroxy-2-methyl-6-propyl-3-(2-pyridinyl)-1-benzopyran-4-one (CHEBI:116652) is a chromones (CHEBI:23238) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28107 | LINCS |