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CHEBI:3193 - brucine
| Formula | C23H26N2O4 |
| Net Charge | 0 |
| Average Mass | 394.471 |
| Monoisotopic Mass | 394.18926 |
| SMILES | [H][C@@]12N3C(=O)C[C@]4([H])OCC=C5CN6CC[C@@]1(c1cc(OC)c(OC)cc13)[C@]6([H])C[C@]5([H])[C@]24[H] |
| InChI | InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1 |
| InChIKey | RRKTZKIUPZVBMF-IBTVXLQLSA-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) |
| brucine (CHEBI:3193) is a monoterpenoid indole alkaloid (CHEBI:65323) |
| brucine (CHEBI:3193) is a organic heteroheptacyclic compound (CHEBI:52157) |
| Incoming Relation(s) |
| 5-oxobrucine (CHEBI:132707) has functional parent brucine (CHEBI:3193) |
| pseudobrucine (CHEBI:132667) has functional parent brucine (CHEBI:3193) |
| Synonym | Source |
|---|---|
| Brucine | KEGG COMPOUND |