Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024649
PROPERTIES
| NPAID | NPA024649 |
|---|---|
| CLUSTER ID | 2271 |
| NODE ID | 1799 |
| NAME | Polyoxin J |
| FORMULA | C17H25N5O12 |
| MOLECULAR WEIGHT (Da) | 491.4100 |
| ACCURATE MASS (Da) | 491.1500 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | cacaoi var asoensis |
| InChIKey | MUIVXLDDXLZVGN-YVKGXWRCSA-N |
| InChI | InChI=1S/C17H25N5O12/c1-4-2-22(17(32)21-12(4)27)14-10(26)9(25)11(34-14)7(15(29)30)20-13(28)6(18)8(24)5(23)3-33-16(19)31/h2,5-11,14,23-26H,3,18H2,1H3,(H2,19,31)(H,20,28)(H,29,30)(H,21,27,32)/t5-,6-,7-,8+,9-,10+,11+,14+/m0/s1 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)[C@@H](C(=O)O)NC(=O)[C@H]([C@@H]([C@H](COC(=O)N)O)O)N)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Isono K; Asahi K; Suzuki S Studies on polyoxins, antifungal antibiotics. 13. The structure of polyoxins. Journal of the American Chemical Society 1969 91 (26) 7490-7505. | ||
|---|---|---|---|
| DOI | 10.1021/ja01054a045 | PMID | 5358618 |
SYNTHESES
| CITATION 1 | Ghosh AK; Wang Y Total Synthesis of (+)-Polyoxin J. Journal of Organic Chemistry 1999 64 (8) 2789-2795. DOI: 10.1021/jo9822378 PMID: 11674347 | ||
|---|---|---|---|
