EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H27NO3 |
| Net Charge | 0 |
| Average Mass | 305.418 |
| Monoisotopic Mass | 305.19909 |
| SMILES | COc1cc2c(cc1O)CCN1C[C@@H](CC(C)C)[C@H](O)C[C@H]21 |
| InChI | InChI=1S/C18H27NO3/c1-11(2)6-13-10-19-5-4-12-7-17(21)18(22-3)8-14(12)15(19)9-16(13)20/h7-8,11,13,15-16,20-21H,4-6,9-10H2,1-3H3/t13-,15-,16-/m1/s1 |
| InChIKey | NNGHNWCGIHBKHE-FVQBIDKESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R,11bR)-10-methoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-2,9-diol (CHEBI:125633) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37190 | LINCS |