EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H14N2O2 |
| Net Charge | 0 |
| Average Mass | 230.267 |
| Monoisotopic Mass | 230.10553 |
| SMILES | COc1ccc2nc3c(c2c1)CCN3C(C)=O |
| InChI | InChI=1S/C13H14N2O2/c1-8(16)15-6-5-10-11-7-9(17-2)3-4-12(11)14-13(10)15/h3-4,7,14H,5-6H2,1-2H3 |
| InChIKey | ZQJVLSOGSIIBCF-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| synthetic microbial community (ncbitaxon:3229850) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3129) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cyclic Melatonin (CHEBI:193824) is a pyrroloindole (CHEBI:48133) |
| IUPAC Name |
|---|
| 1-(7-methoxy-2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone |
| Manual Xrefs | Databases |
|---|---|
| HMDB0060811 | HMDB |
| 30778595 | ChemSpider |