EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H12NO2 |
| Net Charge | +1 |
| Average Mass | 190.222 |
| Monoisotopic Mass | 190.08626 |
| SMILES | C[N+]1=Cc2cc3c(cc2CC1)OCO3 |
| InChI | InChI=1S/C11H12NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-6H,2-3,7H2,1H3/q+1 |
| InChIKey | LGDCROILDUSHQX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium (CHEBI:93619) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4079 | LINCS |