EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H18N2O3 |
| Net Charge | 0 |
| Average Mass | 250.298 |
| Monoisotopic Mass | 250.13174 |
| SMILES | COc1ccc2c(c1)C(O)(CCNC(C)=O)CN2 |
| InChI | InChI=1S/C13H18N2O3/c1-9(16)14-6-5-13(17)8-15-12-4-3-10(18-2)7-11(12)13/h3-4,7,15,17H,5-6,8H2,1-2H3,(H,14,16) |
| InChIKey | DWMWOUAIGKAJNF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Hydroxymelatonin (CHEBI:173783) is a indoles (CHEBI:24828) |
| IUPAC Name |
|---|
| N-[2-(3-hydroxy-5-methoxy-1,2-dihydroindol-3-yl)ethyl]acetamide |
| Manual Xrefs | Databases |
|---|---|
| HMDB0060742 | HMDB |
| 35031775 | ChemSpider |