EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H24N2O4 |
| Net Charge | 0 |
| Average Mass | 368.433 |
| Monoisotopic Mass | 368.17361 |
| SMILES | [H][C@@]12C[C@]3([H])N(CC[C@]4(O)c5ccccc5N(C=C1C(=O)OC)[C@@]43O)C/C2=C/C |
| InChI | InChI=1S/C21H24N2O4/c1-3-13-11-22-9-8-20(25)16-6-4-5-7-17(16)23-12-15(19(24)27-2)14(13)10-18(22)21(20,23)26/h3-7,12,14,18,25-26H,8-11H2,1-2H3/b13-3-/t14-,18-,20-,21-/m0/s1 |
| InChIKey | ABALGCGSAUWIRD-AQENENKKSA-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) |
| 2,7-dihydroxyapogeissoschizine (CHEBI:141867) is a monoterpenoid indole alkaloid (CHEBI:65323) |