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@@]12c3c4c5ccccc5n3[C@@](O)(C(=O)OC)C[C@]1(CC)C=CCN2CC4 |
| InChI | InChI=1S/C21H24N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-8,10,18,25H,3,9,11-13H2,1-2H3/t18-,20+,21+/m1/s1 |
| InChIKey | BQGJXFQCMYJENQ-GIVPXCGWSA-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) |
| 14,15-dehydrovincamine (CHEBI:141861) is a monoterpenoid indole alkaloid (CHEBI:65323) |