Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020082
PROPERTIES
| NPAID | NPA020082 |
|---|---|
| CLUSTER ID | 2385 |
| NODE ID | 1877 |
| NAME | Neoechinulin E |
| FORMULA | C18H17N3O3 |
| MOLECULAR WEIGHT (Da) | 323.3520 |
| ACCURATE MASS (Da) | 323.1270 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | arnstelodarni |
| InChIKey | WNXWQSWPZZTNHV-UHFFFAOYSA-N |
| InChI | InChI=1S/C18H17N3O3/c1-4-18(2,3)14-11(10-7-5-6-8-12(10)19-14)9-13-15(22)21-17(24)16(23)20-13/h4-9H,1H2,2-3H3,(H,20,23)(H2,21,22,24) |
| SMILES | CC(C)(C=C)C1=NC2=CC=CC=C2C1=CC3=C(NC(=O)C(=O)N3)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Marchelli, R; Dossena, A; Pochini, A; Dradi, E The structures of five new didehydropeptides related to neoechinulin, isolated from Aspergillus amstelodami Journal of the Chemical Society, Perkin Transactions 1 1977 0 (7) 713-717. | ||
|---|---|---|---|
| DOI | 10.1039/P19770000713 | PMID | - |
