Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000075307 | Gold | 3 |
| CCMSLIB00000075308 | Gold | 3 |
| CCMSLIB00005772086 | Gold | 3 |
| CCMSLIB00005772087 | Gold | 3 |
| CCMSLIB00005772093 | Gold | 3 |
| CCMSLIB00000219034 | Gold | 3 |
| CCMSLIB00000219036 | Gold | 3 |
| CCMSLIB00000219038 | Gold | 3 |
| CCMSLIB00000219040 | Gold | 3 |
| CCMSLIB00000219042 | Gold | 3 |
| CCMSLIB00000219044 | Gold | 3 |
| CCMSLIB00000219046 | Gold | 3 |
| CCMSLIB00000219048 | Gold | 3 |
| CCMSLIB00000219050 | Gold | 3 |
| CCMSLIB00000219052 | Gold | 3 |
| CCMSLIB00000221225 | Gold | 3 |
| CCMSLIB00000567313 | Gold | 3 |
| CCMSLIB00000567466 | Gold | 3 |
| CCMSLIB00012110262 | Gold | 4 |
| CCMSLIB00012110261 | Gold | 4 |
| CCMSLIB00009950059 | Gold | 4 |
| CCMSLIB00009950058 | Gold | 4 |
COMPOUND NPA028586
PROPERTIES
| NPAID | NPA028586 |
|---|---|
| CLUSTER ID | 36 |
| NODE ID | 36 |
| NAME | Kanamycin A |
| FORMULA | C18H36N4O11 |
| MOLECULAR WEIGHT (Da) | 484.5030 |
| ACCURATE MASS (Da) | 484.2381 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | kanamycetius |
| InChIKey | SBUJHOSQTJFQJX-NOAMYHISSA-N |
| InChI | InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1 |
| SMILES | NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
ORIGINAL ISOLATION REFERENCE
| CITATION | M. J. Cron, O. B. Fardig, D. L. Johnson, D. F. Whitehead, I. R. Hooper, R. U. Lemieux KANAMYCIN. IV. THE STRUCTURE OF KANAMYCIN Journal of the American Chemical Society 1958 80 (15) 4115. | ||
|---|---|---|---|
| DOI | 10.1021/ja01548a077 | PMID | - |
