EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H25N3O3 |
| Net Charge | 0 |
| Average Mass | 415.493 |
| Monoisotopic Mass | 415.18959 |
| SMILES | CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21 |
| InChI | InChI=1S/C25H25N3O3/c1-2-15-10-11-18-17(13-15)25(24(31)26-18)21-20(19-9-6-12-28(19)25)22(29)27(23(21)30)14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,19-21H,2,6,9,12,14H2,1H3,(H,26,31)/t19-,20+,21-,25+/m0/s1 |
| InChIKey | RIUIABXROFOCBS-UGCAPWQASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3S,3'aR,8'aS,8'bS)-5-ethyl-2'-(phenylmethyl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione (CHEBI:116902) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28353 | LINCS |