EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H21N3O3 |
| Net Charge | 0 |
| Average Mass | 375.428 |
| Monoisotopic Mass | 375.15829 |
| SMILES | Cc1ccc(N2C(=O)NC(=O)C3(Cc4ccccc4N4CCCC43)C2=O)cc1 |
| InChI | InChI=1S/C22H21N3O3/c1-14-8-10-16(11-9-14)25-20(27)22(19(26)23-21(25)28)13-15-5-2-3-6-17(15)24-12-4-7-18(22)24/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,23,26,28) |
| InChIKey | PTKLITULSWPWCX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(4-methylphenyl)spiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione (CHEBI:115016) is a pyrroloquinoline (CHEBI:50918) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26478 | LINCS |