Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027165
PROPERTIES
| NPAID | NPA027165 |
|---|---|
| CLUSTER ID | 8221 |
| NODE ID | 141 |
| NAME | Canucin B |
| FORMULA | C79H102N16O18 |
| MOLECULAR WEIGHT (Da) | 1563.7790 |
| ACCURATE MASS (Da) | 1562.7558 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | canus NRRL B3980 |
| InChIKey | HFUVEKUMCOZNEW-GWGLQJHZSA-N |
| InChI | InChI=1S/C79H102N16O18/c1-8-46(6)67(77(110)91-57(37-52-40-80-43-83-52)72(105)87-55(34-49-24-15-10-16-25-49)71(104)92-60(79(112)113)39-65(99)100)94-74(107)56(35-50-26-17-11-18-27-50)89-70(103)54(33-48-22-13-9-14-23-48)88-73(106)58-38-62(96)81-41-64(98)93-66(45(4)5)76(109)82-42-63(97)85-59(36-51-28-19-12-20-29-51)78(111)95-31-21-30-61(95)75(108)90-53(32-44(2)3)69(102)84-47(7)68(101)86-58/h9-20,22-29,40,43-47,53-61,66-67H,8,21,30-39,41-42H2,1-7H3,(H,80,83)(H,81,96)(H,82,109)(H,84,102)(H,85,97)(H,86,101)(H,87,105)(H,88,106)(H,89,103)(H,90,108)(H,91,110)(H,92,104)(H,93,98)(H,94,107)(H,99,100)(H,112,113)/t46-,47+,53-,54-,55-,56-,57-,58+,59-,60-,61-,66-,67-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N1)C(=O)N[C@@H](CC1=C[NH]C=N1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Xu, Fei; Wu, Yihan; Zhang, Chen; Davis, Katherine M.; Moon, Kyuho; Bushin, Leah B.; Seyedsayamdost, Mohammad R. A genetics-free method for high-throughput discovery of cryptic microbial metabolites Nature Chemical Biology 2019 15 (2) 161-168. | ||
|---|---|---|---|
| DOI | 10.1038/s41589-018-0193-2 | PMID | 30617293 |
