EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H26N2O3 |
| Net Charge | 0 |
| Average Mass | 354.450 |
| Monoisotopic Mass | 354.19434 |
| SMILES | [H][C@@]1(CC)CN(C)C[C@@]2(C(=O)OC)Cc3c(nc4ccccc34)C(=O)C[C@@]12[H] |
| InChI | InChI=1S/C21H26N2O3/c1-4-13-11-23(2)12-21(20(25)26-3)10-15-14-7-5-6-8-17(14)22-19(15)18(24)9-16(13)21/h5-8,13,16,22H,4,9-12H2,1-3H3/t13-,16+,21+/m1/s1 |
| InChIKey | METLQVFFFUYXNT-QTPGKHNVSA-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) |
| Ervatamine (CHEBI:141900) is a monoterpenoid indole alkaloid (CHEBI:65323) |