Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005436483 | Gold | 3 |
COMPOUND NPA026612
PROPERTIES
| NPAID | NPA026612 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Scopularide C |
| FORMULA | C39H63N5O7 |
| MOLECULAR WEIGHT (Da) | 713.9610 |
| ACCURATE MASS (Da) | 713.4727 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Beauveria |
| ORIGIN SPECIES | sp. CMB-F585 |
| InChIKey | PTRNIKCPQNPOSZ-HAEOMNIISA-N |
| InChI | InChI=1S/C39H63N5O7/c1-9-10-11-13-16-26(6)20-27(7)32-22-33(45)40-23-34(46)44-35(25(4)5)38(49)42-30(19-24(2)3)37(48)41-28(8)36(47)43-31(39(50)51-32)21-29-17-14-12-15-18-29/h12,14-15,17-18,24-28,30-32,35H,9-11,13,16,19-23H2,1-8H3,(H,40,45)(H,41,48)(H,42,49)(H,43,47)(H,44,46)/t26-,27-,28-,30+,31-,32-,35-/m0/s1 |
| SMILES | CCCCCC[C@H](C)C[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Elbanna, Ahmed H.; Khalil, Zeinab G.; Bernhardt, Paul V.; Capon, Robert J. Scopularides revisited: Molecular networking guided exploration of lipodepsipeptides in Australian marine fish gastrointestinal tract-derived fungi Marine Drugs 2019 17 (8) None. | ||
|---|---|---|---|
| DOI | 10.3390/md17080475 | PMID | 31426405 |
