Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027164
PROPERTIES
| NPAID | NPA027164 |
|---|---|
| CLUSTER ID | 8221 |
| NODE ID | 141 |
| NAME | Canucin A |
| FORMULA | C79H102N16O19 |
| MOLECULAR WEIGHT (Da) | 1579.7780 |
| ACCURATE MASS (Da) | 1578.7507 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | canus NRRL B3980 |
| InChIKey | LMLVQFIPOUUKJQ-XBVPPFJUSA-N |
| InChI | InChI=1S/C79H102N16O19/c1-8-45(6)64(76(109)91-56(37-51-39-80-42-83-51)70(103)89-55(35-49-26-17-11-18-27-49)73(106)94-65(78(111)112)66(99)79(113)114)93-72(105)54(34-48-24-15-10-16-25-48)88-69(102)53(33-47-22-13-9-14-23-47)87-71(104)57-38-60(96)81-40-62(98)92-63(44(4)5)75(108)82-41-61(97)85-58(36-50-28-19-12-20-29-50)77(110)95-31-21-30-59(95)74(107)90-52(32-43(2)3)68(101)84-46(7)67(100)86-57/h9-20,22-29,39,42-46,52-59,63-66,99H,8,21,30-38,40-41H2,1-7H3,(H,80,83)(H,81,96)(H,82,108)(H,84,101)(H,85,97)(H,86,100)(H,87,104)(H,88,102)(H,89,103)(H,90,107)(H,91,109)(H,92,98)(H,93,105)(H,94,106)(H,111,112)(H,113,114)/t45-,46+,52-,53-,54-,55-,56-,57+,58-,59-,63-,64-,65-,66-/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](C(=O)O)[C@H](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 |
