Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001673 | Gold | 1!CCMSLIB00000001676 |
| CCMSLIB00012102544 | Gold | 4 |
| CCMSLIB00009942341 | Gold | 4 |
COMPOUND NPA008475
PROPERTIES
| NPAID | NPA008475 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Scopularide A |
| FORMULA | C36H57N5O7 |
| MOLECULAR WEIGHT (Da) | 671.8800 |
| ACCURATE MASS (Da) | 671.4258 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Scopulariopsis |
| ORIGIN SPECIES | brevicaulis |
| InChIKey | HQEBGENSMXBRMP-YZURKTGCSA-N |
| InChI | InChI=1S/C36H57N5O7/c1-8-9-10-12-15-24(6)29-20-30(42)37-21-31(43)41-32(23(4)5)35(46)39-27(18-22(2)3)34(45)38-25(7)33(44)40-28(36(47)48-29)19-26-16-13-11-14-17-26/h11,13-14,16-17,22-25,27-29,32H,8-10,12,15,18-21H2,1-7H3,(H,37,42)(H,38,45)(H,39,46)(H,40,44)(H,41,43)/t24?,25-,27+,28-,29-,32-/m0/s1 |
| SMILES | CCCCCCC(C)[C@@H]1CC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)CC2=CC=CC=C2)C)CC(C)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yu Z; Lang G; Kajahn I; Schmaljohann R; Imhoff JF Scopularides A and B, cyclodepsipeptides from a marine sponge-derived fungus, Scopulariopsis brevicaulis. Journal of Natural Products 2008 71 (6) 1052-1054. | ||
|---|---|---|---|
| DOI | 10.1021/np070580e | PMID | 18412398 |
