EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H30N2O5 |
| Net Charge | 0 |
| Average Mass | 438.524 |
| Monoisotopic Mass | 438.21547 |
| SMILES | CCOc1ccccc1N1CCN(CC(O)COc2ccc3c(C)cc(=O)oc3c2)CC1 |
| InChI | InChI=1S/C25H30N2O5/c1-3-30-23-7-5-4-6-22(23)27-12-10-26(11-13-27)16-19(28)17-31-20-8-9-21-18(2)14-25(29)32-24(21)15-20/h4-9,14-15,19,28H,3,10-13,16-17H2,1-2H3 |
| InChIKey | SRSKROFDORFLPK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-[3-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-hydroxypropoxy]-4-methyl-1-benzopyran-2-one (CHEBI:111209) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22665 | LINCS |