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CHEBI:229895 - nitrocycline
| Formula | C21H21N3O9 |
| Net Charge | 0 |
| Average Mass | 459.411 |
| Monoisotopic Mass | 459.12778 |
| SMILES | CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc([N+](=O)[O-])c4C[C@H]3C[C@@H]12 |
| InChI | InChI=1S/C21H21N3O9/c1-23(2)15-9-6-7-5-8-10(24(32)33)3-4-11(25)13(8)16(26)12(7)18(28)21(9,31)19(29)14(17(15)27)20(22)30/h3-4,7,9,15,25-26,29,31H,5-6H2,1-2H3,(H2,22,30)/t7-,9-,15-,21-/m0/s1 |
| InChIKey | ICIDIYCNVITODC-UVPAEMEASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | feces (BTO:0000440) | MetaboLights (MTBLS9087) |
| 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) |
| nitrocycline (CHEBI:229895) is a tetracyclines (CHEBI:26895) |
| IUPAC Name |
|---|
| (4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-nitro-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide |