EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H33N3O5 |
| Net Charge | 0 |
| Average Mass | 467.566 |
| Monoisotopic Mass | 467.24202 |
| SMILES | CC=Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1ccc3c(c1)OCO3)O2 |
| InChI | InChI=1S/C26H33N3O5/c1-5-6-19-9-21-25(27-11-19)34-24(17(2)12-29(26(21)31)18(3)15-30)14-28(4)13-20-7-8-22-23(10-20)33-16-32-22/h5-11,17-18,24,30H,12-16H2,1-4H3/t17-,18-,24+/m1/s1 |
| InChIKey | RIYOKFYBASFFQM-GGUMNFRJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-21398 (CHEBI:109971) is a benzodioxoles (CHEBI:38298) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21398 | LINCS |