EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H12N2 |
| Net Charge | 0 |
| Average Mass | 172.231 |
| Monoisotopic Mass | 172.10005 |
| SMILES | c1ccc2c3c(nc2c1)CNCC3 |
| InChI | InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2 |
| InChIKey | CFTOTSJVQRFXOF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CHEBI:92568) is a β-carbolines (CHEBI:60834) |
| Manual Xrefs | Databases |
|---|---|
| HMDB0012488 | HMDB |
| LSM-2711 | LINCS |