EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H39N3O6S |
| Net Charge | 0 |
| Average Mass | 557.713 |
| Monoisotopic Mass | 557.25596 |
| SMILES | C[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C=Cc3ccccc3)cc2O[C@@H]1CN(C)C(=O)CN1CCOCC1 |
| InChI | InChI=1S/C29H39N3O6S/c1-22-18-32(23(2)21-33)39(35,36)28-12-11-25(10-9-24-7-5-4-6-8-24)17-26(28)38-27(22)19-30(3)29(34)20-31-13-15-37-16-14-31/h4-12,17,22-23,27,33H,13-16,18-21H2,1-3H3/t22-,23+,27-/m1/s1 |
| InChIKey | BANHLTBDTXCVOB-QSEAXJEQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-30919 (CHEBI:119471) is a stilbenoid (CHEBI:26776) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30919 | LINCS |