Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016391
PROPERTIES
| NPAID | NPA016391 |
|---|---|
| CLUSTER ID | 242 |
| NODE ID | 222 |
| NAME | UK-79465 |
| FORMULA | C44H64O12 |
| MOLECULAR WEIGHT (Da) | 784.9840 |
| ACCURATE MASS (Da) | 784.4398 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | hygroscopicus |
| InChIKey | WYGWUWHGWCRPPI-QVGQASOISA-N |
| InChI | InChI=1S/C44H64O12/c1-12-24(5)35-29(10)37(54-40(46)23(3)4)38(45)43(56-35)21-32-20-31(55-43)18-17-27(8)34(53-41(47)25(6)13-2)26(7)15-14-16-30-22-51-39-36(50-11)28(9)19-33(42(48)52-32)44(30,39)49/h12,14-17,19,23,25-26,29,31-39,45,49H,13,18,20-22H2,1-11H3/b15-14-,24-12+,27-17-,30-16-/t25?,26-,29+,31+,32-,33-,34+,35+,36+,37-,38+,39+,43-,44+/m0/s1 |
| SMILES | CCC(C)C(=O)O[C@@H]/1[C@H](/C=C\C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3OC)C)C(=O)O[C@H]4C[C@@H](C/C=C1/C)O[C@]5(C4)[C@@H]([C@H]([C@@H]([C@H](O5)/C(=C/C)/C)C)OC(=O)C(C)C)O)O)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 |
