EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H34N4O4S |
| Net Charge | 0 |
| Average Mass | 522.671 |
| Monoisotopic Mass | 522.23008 |
| SMILES | C[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C=Cc3ccccc3)cc2O[C@@H]1CN(C)Cc1cncnc1 |
| InChI | InChI=1S/C28H34N4O4S/c1-21-16-32(22(2)19-33)37(34,35)28-12-11-24(10-9-23-7-5-4-6-8-23)13-26(28)36-27(21)18-31(3)17-25-14-29-20-30-15-25/h4-15,20-22,27,33H,16-19H2,1-3H3/t21-,22+,27-/m1/s1 |
| InChIKey | UAWGSLKNHZLEPQ-UMTXDNHDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-37359 (CHEBI:125790) is a stilbenoid (CHEBI:26776) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37359 | LINCS |