Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577833 | Gold | 3 |
COMPOUND NPA001798
PROPERTIES
| NPAID | NPA001798 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Aspergillicin C |
| FORMULA | C37H54N6O8 |
| MOLECULAR WEIGHT (Da) | 710.8730 |
| ACCURATE MASS (Da) | 710.4003 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | carneus |
| InChIKey | HYRQCHAOLBRARM-JOVZOZRWSA-N |
| InChI | InChI=1S/C37H54N6O8/c1-8-22(4)30-36(49)43-19-13-17-27(43)35(48)42-18-12-16-26(42)34(47)41(7)28(20-25-14-10-9-11-15-25)32(45)39-29(21(2)3)37(50)51-23(5)31(33(46)40-30)38-24(6)44/h9-11,14-15,21-23,26-31H,8,12-13,16-20H2,1-7H3,(H,38,44)(H,39,45)(H,40,46)/t22-,23+,26-,27-,28-,29-,30+,31-/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)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 |
