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CHEBI:207838 - 6-demethyltetracycline
| Formula | C21H22N2O8 |
| Net Charge | 0 |
| Average Mass | 430.413 |
| Monoisotopic Mass | 430.13762 |
| SMILES | CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@H](O)[C@H]3C[C@@H]12 |
| InChI | InChI=1S/C21H22N2O8/c1-23(2)14-9-6-8-12(16(26)11-7(15(8)25)4-3-5-10(11)24)18(28)21(9,31)19(29)13(17(14)27)20(22)30/h3-5,8-9,14-15,24-26,29,31H,6H2,1-2H3,(H2,22,30)/t8-,9-,14-,15+,21-/m0/s1 |
| InChIKey | RMVMLZHPWMTQGK-SOUFLCLCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Kitasatospora aureofaciens (ncbitaxon:1894) | - | DOI (10.1021/ja01573a089) |
| 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) |
| 6-demethyltetracycline (CHEBI:207838) is a tetracyclines (CHEBI:26895) |
| IUPAC Name |
|---|
| (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide |