EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H26ClN3O4S |
| Net Charge | 0 |
| Average Mass | 548.064 |
| Monoisotopic Mass | 547.13325 |
| SMILES | NC(=O)N1C(=O)C2C(C1=O)C1C=C(c3ccc(CO)cc3)C2C(C2CC2)N1Cc1sc2ccccc2c1Cl |
| InChI | InChI=1S/C29H26ClN3O4S/c30-25-17-3-1-2-4-20(17)38-21(25)12-32-19-11-18(15-7-5-14(13-34)6-8-15)22(26(32)16-9-10-16)24-23(19)27(35)33(28(24)36)29(31)37/h1-8,11,16,19,22-24,26,34H,9-10,12-13H2,(H2,31,37) |
| InChIKey | FDLQUAHGVJTTSB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-36632 (CHEBI:125167) is a isoindoles (CHEBI:24897) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36632 | LINCS |