Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011577
PROPERTIES
| NPAID | NPA011577 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Aspergillicin D |
| FORMULA | C36H52N6O8 |
| MOLECULAR WEIGHT (Da) | 696.8460 |
| ACCURATE MASS (Da) | 696.3847 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | carneus |
| InChIKey | NRXZQMCJXXMPFH-QKUSIRIFSA-N |
| InChI | InChI=1S/C36H52N6O8/c1-7-21(4)29-35(48)42-18-12-16-27(42)34(47)41-17-11-15-26(41)32(45)38-25(19-24-13-9-8-10-14-24)31(44)39-28(20(2)3)36(49)50-22(5)30(33(46)40-29)37-23(6)43/h8-10,13-14,20-22,25-30H,7,11-12,15-19H2,1-6H3,(H,37,43)(H,38,45)(H,39,44)(H,40,46)/t21-,22+,25-,26-,27-,28-,29+,30-/m0/s1 |
| SMILES | CC[C@H](C)[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=CC=C4 |
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 |
