Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018704
PROPERTIES
| NPAID | NPA018704 |
|---|---|
| CLUSTER ID | 6102 |
| NODE ID | 2609 |
| NAME | Aculene B |
| FORMULA | C19H27NO3 |
| MOLECULAR WEIGHT (Da) | 317.4290 |
| ACCURATE MASS (Da) | 317.1991 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | aculeatus |
| InChIKey | DLPUOZGNMZKXKB-YEWFCNIMSA-N |
| InChI | InChI=1S/C19H27NO3/c1-4-13-11-16(21)19(3)14(13)8-7-12(2)10-17(19)23-18(22)15-6-5-9-20-15/h7,11,14-15,17,20H,4-6,8-10H2,1-3H3/t14-,15+,17+,19+/m1/s1 |
| SMILES | CCC1=CC(=O)[C@@]2([C@@H]1CC=C(C[C@@H]2OC(=O)[C@@H]3CCCN3)C)C |
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 |
