Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577588 | Gold | 3 |
COMPOUND NPA001477
PROPERTIES
| NPAID | NPA001477 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Aspergillicin E |
| FORMULA | C39H58N6O9 |
| MOLECULAR WEIGHT (Da) | 754.9260 |
| ACCURATE MASS (Da) | 754.4265 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | carneus |
| InChIKey | WQAAJWSIZAAGHM-VPPZWIFGSA-N |
| InChI | InChI=1S/C39H58N6O9/c1-9-22(3)31-38(51)45-20-12-14-29(45)37(50)44-19-11-13-28(44)36(49)43(7)30(21-26-15-17-27(53-8)18-16-26)34(47)42-32(23(4)10-2)39(52)54-24(5)33(35(48)41-31)40-25(6)46/h15-18,22-24,28-33H,9-14,19-21H2,1-8H3,(H,40,46)(H,41,48)(H,42,47)/t22-,23+,24+,28-,29-,30-,31+,32-,33-/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@H](C)CC)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 |
