Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022540
PROPERTIES
| NPAID | NPA022540 |
|---|---|
| CLUSTER ID | 139 |
| NODE ID | 132 |
| NAME | Niphimycin E |
| FORMULA | C62H105N3O21 |
| MOLECULAR WEIGHT (Da) | 1228.5220 |
| ACCURATE MASS (Da) | 1227.7241 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. IMB7-145 |
| InChIKey | WFKYQJAZFRLVJR-DNMXLFBCSA-N |
| InChI | InChI=1S/C62H105N3O21/c1-35(18-14-12-10-11-13-17-25-65-61(63)64-9)26-39(5)58-38(4)19-15-16-20-46(67)40(6)50(71)28-43(66)27-44(83-56(78)32-54(74)75)29-45-30-52(73)59(80)62(82,86-45)34-53(84-57(79)33-55(76)77)37(3)22-24-47(68)41(7)51(72)31-49(70)36(2)21-23-48(69)42(8)60(81)85-58/h10-11,15-16,19-21,23,35-53,58-59,66-73,80,82H,12-14,17-18,22,24-34H2,1-9H3,(H,74,75)(H,76,77)(H3,63,64,65)/b11-10+,19-15+,20-16+,23-21+/t35-,36-,37-,38-,39-,40+,41+,42+,43-,44-,45+,46+,47-,48+,49+,50+,51-,52-,53+,58-,59+,62-/m0/s1 |
| SMILES | C[C@H]1CC[C@@H]([C@H]([C@H](C[C@H]([C@H](/C=C/[C@H]([C@H](C(=O)O[C@@H]([C@H](/C=C/C=C/[C@H]([C@H]([C@@H](C[C@H](C[C@@H](C[C@@H]2C[C@@H]([C@H]([C@@](O2)(C[C@H]1OC(=O)CC(=O)O)O)O)O)OC(=O)CC(=O)O)O)O)C)O)C)[C@@H](C)C[C@@H](C)CCC/C=C/CCCNC(=NC)N)C)O)C)O)O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hu, Yuanyuan; Wang, Mian; Wu, Chunyan; Tan, Yi; Li, Jiao; Hao, Xiaomeng; Duan, Yanbo; Guan, Yan; Shang, Xiaoya; Wang, Yiguang; Xiao, Chunling; Gan, Maoluo Identification and Proposed Relative and Absolute Configurations of Niphimycins C-E from the Marine-Derived Streptomyces sp. IMB7-145 by Genomic Analysis Journal of Natural Products 2018 81 (1) 178-187. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.7b00859 | PMID | 29308897 |
