Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005721047 | Gold | 3 |
COMPOUND NPA017100
PROPERTIES
| NPAID | NPA017100 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Deoxybrevianamide E |
| FORMULA | C21H25N3O2 |
| MOLECULAR WEIGHT (Da) | 351.4500 |
| ACCURATE MASS (Da) | 351.1947 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | brevi-compactum |
| InChIKey | KUGNSEAHJVSMAJ-IRXDYDNUSA-N |
| InChI | InChI=1S/C21H25N3O2/c1-4-21(2,3)18-14(13-8-5-6-9-15(13)22-18)12-16-20(26)24-11-7-10-17(24)19(25)23-16/h4-6,8-9,16-17,22H,1,7,10-12H2,2-3H3,(H,23,25)/t16-,17-/m0/s1 |
| SMILES | CC(C)(C=C)C1=C(C2=CC=CC=C2N1)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Steyn, PS The structures of five diketopiperazines from Aspergillus ustus Tetrahedron 1973 29 (1) 107-120. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4020(01)99384-6 | PMID | - |
