Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577554 | Gold | 3 |
COMPOUND NPA010186
PROPERTIES
| NPAID | NPA010186 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Aspergillicin A |
| FORMULA | C38H56N6O9 |
| MOLECULAR WEIGHT (Da) | 740.8990 |
| ACCURATE MASS (Da) | 740.4109 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | carneus |
| InChIKey | NCCHYDXMXHIKMK-FVOMNUFISA-N |
| InChI | InChI=1S/C38H56N6O9/c1-9-22(4)31-37(50)44-19-11-13-28(44)36(49)43-18-10-12-27(43)35(48)42(7)29(20-25-14-16-26(52-8)17-15-25)33(46)40-30(21(2)3)38(51)53-23(5)32(34(47)41-31)39-24(6)45/h14-17,21-23,27-32H,9-13,18-20H2,1-8H3,(H,39,45)(H,40,46)(H,41,47)/t22-,23+,27-,28-,29-,30-,31+,32-/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=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 |
