EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H12N2O.HCl |
| Net Charge | 0 |
| Average Mass | 248.713 |
| Monoisotopic Mass | 248.07164 |
| SMILES | COc1ccc2c(c1)nc1c(C)nccc12.Cl |
| InChI | InChI=1S/C13H12N2O.ClH/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;/h3-7,15H,1-2H3;1H |
| InChIKey | VNPLYCKZIUTKJM-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Zea mays (ncbitaxon:4577) | exometabolome | MetaboLights (MTBLS8903) |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Harmine HCl (CHEBI:228876) is a harmala alkaloid (CHEBI:61379) |
| IUPAC Name |
|---|
| 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;hydrochloride |
| Manual Xrefs | Databases |
|---|---|
| 21007 | ChemSpider |