EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H21NO4 |
| Net Charge | 0 |
| Average Mass | 327.380 |
| Monoisotopic Mass | 327.14706 |
| SMILES | COc1cc2c(cc1O)C1Cc3ccc(O)c(OC)c3CN1CC2 |
| InChI | InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3 |
| InChIKey | JKPISQIIWUONPB-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) |
| 3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol (CHEBI:91837) is a alkaloid (CHEBI:22315) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1754 | LINCS |