EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H28N3O.CHF3O3S |
| Net Charge | 0 |
| Average Mass | 548.607 |
| Monoisotopic Mass | 548.18309 |
| SMILES | CN(C)c1ccc(CC2C3=CC(c4ccccc4)=N(C)N3C3C=CC(O)=CC23)cc1.O=S(=O)(O)C(F)(F)F |
| InChI | InChI=1S/C26H28N3O.CHF3O3S/c1-27(2)20-11-9-18(10-12-20)15-22-23-16-21(30)13-14-24(23)29-26(22)17-25(28(29)3)19-7-5-4-6-8-19;2-1(3,4)8(5,6)7/h4-14,16-17,22-24,30H,15H2,1-3H3;(H,5,6,7) |
| InChIKey | SMUKTESWMAEFIO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| GWARJD07 (CHEBI:195491) is a organic molecular entity (CHEBI:50860) |