EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H22N2O3 |
| Net Charge | 0 |
| Average Mass | 362.429 |
| Monoisotopic Mass | 362.16304 |
| SMILES | O=C(C1CC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 |
| InChI | InChI=1S/C22H22N2O3/c25-13-19-20-16-8-4-5-9-17(16)23(21(26)15-10-11-15)12-18(20)24(19)22(27)14-6-2-1-3-7-14/h1-9,15,18-20,25H,10-13H2/t18-,19-,20+/m0/s1 |
| InChIKey | ASBISCBCTXZQKG-SLFFLAALSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(1R,2aR,8bR)-2-benzoyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-cyclopropylmethanone (CHEBI:130528) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-42077 | LINCS |