Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014418
PROPERTIES
| NPAID | NPA014418 |
|---|---|
| CLUSTER ID | 645 |
| NODE ID | 222 |
| NAME | Doramectin congener 3 |
| FORMULA | C36H50O7 |
| MOLECULAR WEIGHT (Da) | 594.7890 |
| ACCURATE MASS (Da) | 594.3557 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | avermitilis NEAU1069 |
| InChIKey | ZKHVASGSLKJDNR-OALJPBGDSA-N |
| InChI | InChI=1S/C36H50O7/c1-21-10-9-11-22(2)33(39)23(3)14-15-27-17-28(41-35(40)30-16-24(4)31(37)18-29(21)30)19-36(42-27)20-32(38)25(5)34(43-36)26-12-7-6-8-13-26/h9-11,14,16,18,22,25-28,32-34,37-39H,6-8,12-13,15,17,19-20H2,1-5H3/b11-9-,21-10-,23-14-/t22-,25-,27+,28-,32-,33-,34-,36-/m0/s1 |
| SMILES | C[C@H]1/C=C\C=C(/C2=CC(=C(C=C2C(=O)O[C@H]3C[C@@H](C/C=C(\[C@H]1O)/C)O[C@]4(C3)C[C@@H]([C@@H]([C@H](O4)C5CCCCC5)C)O)C)O)\C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wang, Xiang-Jing; Zhang, Ji; Wang, Ji-Dong; Huang, Sheng-Xiong; Chen, Yi-Hua; Liu, Chong-Xi; Xiang, Wen-Sheng Four New Doramectin Congeners with Acaricidal and Insecticidal Activity from Streptomyces avermitilis NEAU1069 Chemistry and Biodiversity 2011 8 (11) 2117-2125. | ||
|---|---|---|---|
| DOI | 10.1002/cbdv.201000295 | PMID | 22083924 |
