EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H26N2O6S |
| Net Charge | 0 |
| Average Mass | 494.569 |
| Monoisotopic Mass | 494.15116 |
| SMILES | COc1ccccc1C1C(C(C)=O)=C(C)N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n21 |
| InChI | InChI=1S/C26H26N2O6S/c1-14-22(15(2)29)23(17-9-7-8-10-18(17)31-3)28-25(30)21(35-26(28)27-14)13-16-11-19(32-4)24(34-6)20(12-16)33-5/h7-13,23H,1-6H3 |
| InChIKey | ZBJSDSFOFZMHBX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-acetyl-5-(2-methoxyphenyl)-7-methyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-thiazolo[3,2-a]pyrimidin-3-one (CHEBI:120674) is a methoxybenzenes (CHEBI:51683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32116 | LINCS |