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CHEBI:3705 - Cinegalline
| Formula | C23H30N2O6 |
| Net Charge | 0 |
| Average Mass | 430.501 |
| Monoisotopic Mass | 430.21039 |
| SMILES | [H][C@@]12C[C@@H](OC(=O)c3cc(O)c(OC)c(O)c3)CCN1C[C@@H]1C[C@H]2CN2C(=O)CCC[C@]12[H] |
| InChI | InChI=1S/C23H30N2O6/c1-30-22-19(26)8-13(9-20(22)27)23(29)31-16-5-6-24-11-14-7-15(18(24)10-16)12-25-17(14)3-2-4-21(25)28/h8-9,14-18,26-27H,2-7,10-12H2,1H3/t14?,15?,16-,17+,18-/m0/s1 |
| InChIKey | WCNNCIUCJFPASX-YOHUBWIESA-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) |
| Cinegalline (CHEBI:3705) is a quinolizidine alkaloid (CHEBI:26515) |
| Synonym | Source |
|---|---|
| Cinegalline | KEGG COMPOUND |