Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577547 | Gold | 3 |
COMPOUND NPA016923
PROPERTIES
| NPAID | NPA016923 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Aspergillicin B |
| FORMULA | C37H54N6O9 |
| MOLECULAR WEIGHT (Da) | 726.8720 |
| ACCURATE MASS (Da) | 726.3952 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | carneus |
| InChIKey | WQYQLZJEDBPTDY-KZELWVORSA-N |
| InChI | InChI=1S/C37H54N6O9/c1-8-11-26-34(47)42-18-10-13-28(42)36(49)43-19-9-12-27(43)35(48)41(6)29(20-24-14-16-25(51-7)17-15-24)32(45)40-30(21(2)3)37(50)52-22(4)31(33(46)39-26)38-23(5)44/h14-17,21-22,26-31H,8-13,18-20H2,1-7H3,(H,38,44)(H,39,46)(H,40,45)/t22-,26-,27+,28+,29+,30+,31+/m1/s1 |
| SMILES | CCC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C)C)C(C)C)CC4=CC=C(C=C4)OC)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Capon, Robert J; Skene, Colin; Stewart, Michael; Ford, Joanne; O'Hair, Richard A J; Williams, Leisha; Lacey, Ernest; Gill, Jennifer H; Heiland, Kirstin; Friedel, Thomas Aspergillicins A-E: five novel depsipeptides from the marine-derived fungus Aspergillus carneus Organic & Biomolecular Chemistry 2003 1 (11) 1856-1862. | ||
|---|---|---|---|
| DOI | 10.3410/f.1015260.194539 | PMID | 12945765 |
