EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H31N3O5 |
| Net Charge | 0 |
| Average Mass | 429.517 |
| Monoisotopic Mass | 429.22637 |
| SMILES | CCN1CCN(C(=O)COc2ccc3c(c2)C(=O)CC2(CCN(C(C)=O)CC2)O3)CC1 |
| InChI | InChI=1S/C23H31N3O5/c1-3-24-10-12-26(13-11-24)22(29)16-30-18-4-5-21-19(14-18)20(28)15-23(31-21)6-8-25(9-7-23)17(2)27/h4-5,14H,3,6-13,15-16H2,1-2H3 |
| InChIKey | SJYQXSKDUDDADR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1'-acetyl-6-[2-(4-ethyl-1-piperazinyl)-2-oxoethoxy]-4-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]one (CHEBI:121382) is a chromones (CHEBI:23238) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32825 | LINCS |