EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H23N3O3 |
| Net Charge | 0 |
| Average Mass | 365.433 |
| Monoisotopic Mass | 365.17394 |
| SMILES | O=C(NC1Cc2ccccc2C1)[C@@H]1N[C@@H]2c3cccc(=O)n3C[C@@H]2[C@H]1CO |
| InChI | InChI=1S/C21H23N3O3/c25-11-16-15-10-24-17(6-3-7-18(24)26)19(15)23-20(16)21(27)22-14-8-12-4-1-2-5-13(12)9-14/h1-7,14-16,19-20,23,25H,8-11H2,(H,22,27)/t15-,16-,19+,20-/m1/s1 |
| InChIKey | WRJPWVKEXURTAG-YAJHFMINSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R,3aS,9bS)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:101322) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-12688 | LINCS |