EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H33N3O |
| Net Charge | 0 |
| Average Mass | 439.603 |
| Monoisotopic Mass | 439.26236 |
| SMILES | OC[C@@H]1[C@H](c2ccc(C=Cc3ccccc3)cc2)[C@@H]2CN(Cc3cccnc3)CCCCN12 |
| InChI | InChI=1S/C29H33N3O/c33-22-28-29(26-14-12-24(13-15-26)11-10-23-7-2-1-3-8-23)27-21-31(17-4-5-18-32(27)28)20-25-9-6-16-30-19-25/h1-3,6-16,19,27-29,33H,4-5,17-18,20-22H2/t27-,28+,29+/m0/s1 |
| InChIKey | ORVIWTYNJHNTDZ-ZGIBFIJWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-37541 (CHEBI:125974) is a stilbenoid (CHEBI:26776) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37541 | LINCS |