EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H23N3OS |
| Net Charge | 0 |
| Average Mass | 389.524 |
| Monoisotopic Mass | 389.15618 |
| SMILES | COc1ccccc1C1c2nc3ccccc3c2CCN1Cc1cnc(C)s1 |
| InChI | InChI=1S/C23H23N3OS/c1-15-24-13-16(28-15)14-26-12-11-18-17-7-3-5-9-20(17)25-22(18)23(26)19-8-4-6-10-21(19)27-2/h3-10,13,23,25H,11-12,14H2,1-2H3 |
| InChIKey | HMEWYFTUPMDASV-UHFFFAOYSA-N |
| 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) |
| 5-[[1-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methyl]-2-methylthiazole (CHEBI:120868) is a harmala alkaloid (CHEBI:61379) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32311 | LINCS |