EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H23NO4 |
| Net Charge | 0 |
| Average Mass | 341.407 |
| Monoisotopic Mass | 341.16271 |
| SMILES | COc1cc2c(cc1OC)C(C)N(Cc1ccc3c(c1)OCO3)CC2 |
| InChI | InChI=1S/C20H23NO4/c1-13-16-10-19(23-3)18(22-2)9-15(16)6-7-21(13)11-14-4-5-17-20(8-14)25-12-24-17/h4-5,8-10,13H,6-7,11-12H2,1-3H3 |
| InChIKey | BSDPQEFENGLTDD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline (CHEBI:114214) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25675 | LINCS |