EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H22N2O3 |
| Net Charge | 0 |
| Average Mass | 326.396 |
| Monoisotopic Mass | 326.16304 |
| SMILES | CCC12CCc3nc4ccccc4c3CC(=O)OC(C1)C(=O)NC2 |
| InChI | InChI=1S/C19H22N2O3/c1-2-19-8-7-15-13(12-5-3-4-6-14(12)21-15)9-17(22)24-16(10-19)18(23)20-11-19/h3-6,16,21H,2,7-11H2,1H3,(H,20,23) |
| InChIKey | YUPRHHFLOLUPFG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Alkaloid AQC2 (CHEBI:174384) is a indoles (CHEBI:24828) |
| IUPAC Name |
|---|
| 1-ethyl-15-oxa-5,18-diazatetracyclo[14.3.1.04,12.06,11]icosa-4(12),6,8,10-tetraene-14,17-dione |
| Manual Xrefs | Databases |
|---|---|
| HMDB0038595 | HMDB |
| 35014612 | ChemSpider |