EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H14N2O |
| Net Charge | 0 |
| Average Mass | 202.257 |
| Monoisotopic Mass | 202.11061 |
| SMILES | CC1NCCc2c1nc1cc(O)ccc21 |
| InChI | InChI=1S/C12H14N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6-7,13-15H,4-5H2,1H3 |
| InChIKey | AZTMWIPCEFFOJD-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ulmus parvifolia (ncbitaxon:63058) | |||
| seed (BTO:0001226) | MetaboLights (MTBLS4572) | ||
| bark (BTO:0001301) | MetaboLights (MTBLS4572) |
| 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) |
| Tetrahydroharmol (CHEBI:191646) is a harmala alkaloid (CHEBI:61379) |
| IUPAC Name |
|---|
| 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-7-ol |
| Manual Xrefs | Databases |
|---|---|
| HMDB0029835 | HMDB |
| 327573 | ChemSpider |