Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020617
PROPERTIES
| NPAID | NPA020617 |
|---|---|
| CLUSTER ID | 1827 |
| NODE ID | 1092 |
| NAME | Octacyclomycin |
| FORMULA | C52H88O19 |
| MOLECULAR WEIGHT (Da) | 1017.2570 |
| ACCURATE MASS (Da) | 1016.5920 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. No. 82-85 |
| InChIKey | KNFNZSMXPGQAER-HGAFAVBASA-N |
| InChI | InChI=1S/C52H88O19/c1-26-21-27(2)52(58,25-53)69-42(26)36-22-37(64-40-15-13-34(59-10)31(6)62-40)47(65-36)49(9)18-17-38(67-49)48(8)19-20-50(71-48)23-33(54)28(3)43(68-50)29(4)44-46(61-12)45(30(5)51(57,70-44)24-39(55)56)66-41-16-14-35(60-11)32(7)63-41/h26-38,40-47,53-54,57-58H,13-25H2,1-12H3,(H,55,56)/t26-,27+,28+,29+,30-,31+,32+,33-,34-,35-,36+,37-,38+,40-,41-,42-,43-,44-,45-,46-,47+,48-,49-,50+,51+,52-/m0/s1 |
| SMILES | CO[C@H]1CC[C@H](O[C@H]2[C@H](C)[C@@](O)(CC(=O)O)O[C@@H]([C@H](C)[C@H]3O[C@@]4(CC[C@@](C)([C@H]5CC[C@@](C)([C@@H]6O[C@@H]([C@H]7O[C@@](O)(CO)[C@H](C)C[C@@H]7C)C[C@@H]6O[C@H]6CC[C@H](OC)[C@@H](C)O6)O5)O4)C[C@H](O)[C@H]3C)[C@@H]2OC)O[C@@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Funayama S; Nozoe S; Tronquet C; Anraku Y; Komiyama K; Omura S ISOLATION AND STRUCTURE OF A NEW POLYETHER ANTIBIOTIC, OCTACYCLOMYCIN Journal of Antibiotics 1992 45 (10) 1686-1691. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.45.1686 | PMID | 1473999 |
