EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H24N2O3 |
| Net Charge | 0 |
| Average Mass | 352.434 |
| Monoisotopic Mass | 352.17869 |
| SMILES | [H][C@]12CC3N(C/C1=C/C)[C@@]1([H])C[C@]4(c5ccccc5N[C@@]34[H])[C@H](O)C21C(=O)OC |
| InChI | InChI=1S/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13-,15?,16-,17-,18-,20+,21?/m0/s1 |
| InChIKey | RLUORQGMBKDXPO-UAPZWEKESA-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) |
| Quebrachidine (CHEBI:141950) is a monoterpenoid indole alkaloid (CHEBI:65323) |