EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H27NO3 |
| Net Charge | 0 |
| Average Mass | 353.462 |
| Monoisotopic Mass | 353.19909 |
| SMILES | C=CC1c2cc(OC)c(OC)cc2CC(C)N1Cc1ccc(OC)cc1 |
| InChI | InChI=1S/C22H27NO3/c1-6-20-19-13-22(26-5)21(25-4)12-17(19)11-15(2)23(20)14-16-7-9-18(24-3)10-8-16/h6-10,12-13,15,20H,1,11,14H2,2-5H3 |
| InChIKey | QHFXSVVSNIIZOH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-ethenyl-6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-1H-isoquinoline (CHEBI:125169) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36635 | LINCS |