EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H28N2O4 |
| Net Charge | 0 |
| Average Mass | 384.476 |
| Monoisotopic Mass | 384.20491 |
| SMILES | [H][C@@]12CC[C@]([H])(O)[C@]([H])(C(=O)OC)[C@@]1([H])C[C@@]1([H])c3nc4cc(OC)ccc4c3CCN1C2 |
| InChI | InChI=1S/C22H28N2O4/c1-27-13-4-5-14-15-7-8-24-11-12-3-6-19(25)20(22(26)28-2)16(12)10-18(24)21(15)23-17(14)9-13/h4-5,9,12,16,18-20,23,25H,3,6-8,10-11H2,1-2H3/t12-,16-,18-,19-,20+/m0/s1 |
| InChIKey | DBCVUIBEXPYXAJ-SDVLLTEKSA-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) |
| 11-methoxyyohimbine (CHEBI:141860) is a monoterpenoid indole alkaloid (CHEBI:65323) |