Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000531504 | Bronze | Koranimine |
| CCMSLIB00012110397 | Gold | 4 |
| CCMSLIB00009950194 | Gold | 4 |
COMPOUND NPA000689
PROPERTIES
| NPAID | NPA000689 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 26 |
| NAME | Koranimine |
| FORMULA | C44H65N7O7 |
| MOLECULAR WEIGHT (Da) | 804.0460 |
| ACCURATE MASS (Da) | 803.4945 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | sp. |
| InChIKey | HLSBKABOQXRVQW-ICZSIEETSA-N |
| InChI | InChI=1S/C44H65N7O7/c1-25(2)20-32-39(53)47-35(23-31-18-14-11-15-19-31)42(56)51-37(28(7)8)43(57)49-34(22-30-16-12-10-13-17-30)41(55)50-36(27(5)6)24-45-38(29(9)52)44(58)48-33(21-26(3)4)40(54)46-32/h10-19,24-29,32-38,52H,20-23H2,1-9H3,(H,46,54)(H,47,53)(H,48,58)(H,49,57)(H,50,55)(H,51,56)/t29-,32-,33-,34-,35-,36-,37+,38+/m1/s1 |
| SMILES | C[C@H]([C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C=N1)C(C)C)CC2=CC=CC=C2)C(C)C)CC3=CC=CC=C3)CC(C)C)CC(C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Evans, Bradley S.; Ntai, Ioanna; Chen, Yunqiu; Robinson, Sarah J.; Kelleher, Neil L. Proteomics-based discovery of koranimine, a cyclic imine natural product Journal of the American Chemical Society 2011 133 (19) 7316-7319. | ||
|---|---|---|---|
| DOI | 10.1021/ja2015795 | PMID | 21520944 |
