EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C10H13NO2 |
| Net Charge | 0 |
| Average Mass | 179.219 |
| Monoisotopic Mass | 179.09463 |
| SMILES | O=C1CCC2=C1N1CCCC1OC2 |
| InChI | InChI=1S/C10H13NO2/c12-8-4-3-7-6-13-9-2-1-5-11(9)10(7)8/h9H,1-6H2 |
| InChIKey | MTHASAHNRVFFOM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Maltoxazine (CHEBI:173498) is a pyrrolidines (CHEBI:38260) |
| IUPAC Name |
|---|
| 8-oxa-1-azatricyclo[7.3.0.02,6]dodec-2(6)-en-3-one |
| Manual Xrefs | Databases |
|---|---|
| HMDB0030372 | HMDB |
| 35013187 | ChemSpider |