Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000853519 | Gold | 1!CCMSLIB00000849284 |
COMPOUND NPA001446
PROPERTIES
| NPAID | NPA001446 |
|---|---|
| CLUSTER ID | 946 |
| NODE ID | 814 |
| NAME | Austamide |
| FORMULA | C21H21N3O3 |
| MOLECULAR WEIGHT (Da) | 363.4170 |
| ACCURATE MASS (Da) | 363.1583 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | ustus |
| InChIKey | LBFQJHHYMJAUKS-BJQOMGFOSA-N |
| InChI | InChI=1S/C21H21N3O3/c1-20(2)9-11-24-16(19(27)23-10-5-8-15(23)18(24)26)12-21(20)17(25)13-6-3-4-7-14(13)22-21/h3-4,6-9,11,16,22H,5,10,12H2,1-2H3/t16-,21?/m0/s1 |
| SMILES | CC1(C=CN2[C@@H](CC13C(=O)C4=CC=CC=C4N3)C(=O)N5CCC=C5C2=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Steyn, PS Austamide, a new toxic metabolite from Aspergillus ustus Tetrahedron Letters 1971 12 (36) 3331-3334. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(01)97170-9 | PMID | - |
