Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032821
PROPERTIES
| NPAID | NPA032821 |
|---|---|
| CLUSTER ID | 9483 |
| NODE ID | 6347 |
| NAME | Acu-dioxomorpholine |
| FORMULA | C26H28N2O3 |
| MOLECULAR WEIGHT (Da) | 416.5210 |
| ACCURATE MASS (Da) | 416.2100 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | aculeatus |
| InChIKey | HZOLEYOVBYTDAS-LUHVKKMXSA-N |
| InChI | InChI=1S/C26H28N2O3/c1-5-25(2,3)26-16-20-23(30)31-21(15-17-11-7-6-8-12-17)22(29)28(20)24(26)27(4)19-14-10-9-13-18(19)26/h5-14,20-21,24H,1,15-16H2,2-4H3/t20-,21-,24-,26+/m1/s1 |
| SMILES | C=CC(C)(C)[C@]12C[C@@H]3C(=O)O[C@H](CC4=CC=CC=C4)C(=O)N3[C@H]1N(C)C1=CC=CC=C12 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Petersen, Lene M.; Hoeck, Casper; Frisvad, Jens C.; Gotfredsen, Charlotte H.; Larsen, Thomas O. Dereplication guided discovery of secondary metabolites of mixed biosynthetic origin from Aspergillus aculeatus Molecules 2014 19 (8) 10898-10921. | ||
|---|---|---|---|
| DOI | 10.3390/molecules190810898 | PMID | 25068785 |
