EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H13N3O3 |
| Net Charge | 0 |
| Average Mass | 319.320 |
| Monoisotopic Mass | 319.09569 |
| SMILES | O=C1NC(=O)[C@H](Cc2ccccc2)n2c1nc1ccccc1c2=O |
| InChI | InChI=1S/C18H13N3O3/c22-16-14(10-11-6-2-1-3-7-11)21-15(17(23)20-16)19-13-9-5-4-8-12(13)18(21)24/h1-9,14H,10H2,(H,20,22,23)/t14-/m0/s1 |
| InChIKey | IVNCZNABHAOMIB-AWEZNQCLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus versicolor (ncbitaxon:46472) | - | PubMed (19627104) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Brevianamide N (CHEBI:210192) is a quinazolines (CHEBI:38530) |
| IUPAC Name |
|---|
| (4S)-4-benzyl-4H-pyrazino[2,1-b]quinazoline-1,3,6-trione |
| Manual Xrefs | Databases |
|---|---|
| 27023898 | ChemSpider |