EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H29N3O6S |
| Net Charge | 0 |
| Average Mass | 499.589 |
| Monoisotopic Mass | 499.17771 |
| SMILES | CS(=O)(=O)Nc1cccc(N2CCN(CCCCc3coc4cc5c(cc4c3=O)OCO5)CC2)c1 |
| InChI | InChI=1S/C25H29N3O6S/c1-35(30,31)26-19-6-4-7-20(13-19)28-11-9-27(10-12-28)8-3-2-5-18-16-32-22-15-24-23(33-17-34-24)14-21(22)25(18)29/h4,6-7,13-16,26H,2-3,5,8-12,17H2,1H3 |
| InChIKey | KLOYLPZTHLSRRB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| f-17464 free base (CHEBI:759821) is a piperazines (CHEBI:26144) |