EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H26BN3O5 |
| Net Charge | 0 |
| Average Mass | 399.256 |
| Monoisotopic Mass | 399.19655 |
| SMILES | CCCC[C@H]1OB(O)C[C@H]2C1=C(COC)Cn1c(=O)n(-c3ccccc3)c(=O)n12 |
| InChI | InChI=1S/C20H26BN3O5/c1-3-4-10-17-18-14(13-28-2)12-22-19(25)23(15-8-6-5-7-9-15)20(26)24(22)16(18)11-21(27)29-17/h5-9,16-17,27H,3-4,10-13H2,1-2H3/t16-,17+/m0/s1 |
| InChIKey | CLEIYVOPWCTZCC-DLBZAZTESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-36756 (CHEBI:125285) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36756 | LINCS |