Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003070
PROPERTIES
| NPAID | NPA003070 |
|---|---|
| CLUSTER ID | 242 |
| NODE ID | 222 |
| NAME | UK-78614 |
| FORMULA | C39H56O11 |
| MOLECULAR WEIGHT (Da) | 700.8660 |
| ACCURATE MASS (Da) | 700.3823 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | hygroscopicus |
| InChIKey | ZMBSWZIZXBSIIK-OIRQPIJTSA-N |
| InChI | InChI=1S/C39H56O11/c1-10-21(4)31-25(8)33(48-36(42)20(2)3)34(41)38(50-31)18-28-17-27(49-38)15-14-23(6)30(40)22(5)12-11-13-26-19-46-35-32(45-9)24(7)16-29(37(43)47-28)39(26,35)44/h10-14,16,20,22,25,27-35,40-41,44H,15,17-19H2,1-9H3/b12-11-,21-10+,23-14-,26-13-/t22-,25+,27+,28-,29-,30+,31+,32+,33-,34+,35+,38-,39+/m0/s1 |
| SMILES | C/C=C(\C)/[C@@H]1[C@H]([C@@H]([C@H]([C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(\[C@@H]([C@H](/C=C\C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5OC)C)C(=O)O3)O)C)O)/C)O)OC(=O)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Haxell, M A; Bishop, B F; Bryce, P; Gration, K A; Kara, H; Monday, R A; Pacey, M S; Perry, D A; Kojima, Y; Maeda, H C-13 β-acyloxymilbemycins, a new family of macrolides. Discovery, structural determination and biological properties Journal of Antibiotics 1992 45 (5) 659-670. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.45.659 | PMID | 1624368 |
