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CHEBI:204248 - Malbrancheamide
| Formula | C21H23Cl2N3O |
| Net Charge | 0 |
| Average Mass | 404.341 |
| Monoisotopic Mass | 403.12182 |
| SMILES | CC1(C)c2nc3cc(Cl)c(Cl)cc3c2C[C@@]23CN4CCC[C@]4(C[C@@H]12)C(=O)N3 |
| InChI | InChI=1S/C21H23Cl2N3O/c1-19(2)16-9-21-4-3-5-26(21)10-20(16,25-18(21)27)8-12-11-6-13(22)14(23)7-15(11)24-17(12)19/h6-7,16,24H,3-5,8-10H2,1-2H3,(H,25,27)/t16-,20+,21-/m0/s1 |
| InChIKey | GZGGCZADGIBRHT-DQLDELGASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malbranchea aurantiaca (ncbitaxon:78605) | - | DOI (10.1016/j.tet.2005.11.047) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Malbrancheamide (CHEBI:204248) is a pyrroloquinoline (CHEBI:50918) |
| IUPAC Name |
|---|
| (1S,13S,15S)-6,7-dichloro-12,12-dimethyl-10,19,21-triazahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-3(11),4,6,8-tetraen-22-one |