Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005436488 | Gold | 3 |
COMPOUND NPA026617
PROPERTIES
| NPAID | NPA026617 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Scopularide H |
| FORMULA | C38H61N5O7 |
| MOLECULAR WEIGHT (Da) | 699.9340 |
| ACCURATE MASS (Da) | 699.4571 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Scopulariopsis |
| ORIGIN SPECIES | sp. CMB-F115 |
| InChIKey | RALTUMFCLLNZRF-BPCJYGDJSA-N |
| InChI | InChI=1S/C38H61N5O7/c1-8-9-10-11-12-14-17-26(6)31-22-32(44)39-23-33(45)43-34(25(4)5)37(48)41-29(20-24(2)3)36(47)40-27(7)35(46)42-30(38(49)50-31)21-28-18-15-13-16-19-28/h13,15-16,18-19,24-27,29-31,34H,8-12,14,17,20-23H2,1-7H3,(H,39,44)(H,40,47)(H,41,48)(H,42,46)(H,43,45)/t26-,27-,29+,30-,31-,34-/m0/s1 |
| SMILES | CCCCCCCC[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 |
