Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011710
PROPERTIES
| NPAID | NPA011710 |
|---|---|
| CLUSTER ID | 4493 |
| NODE ID | 2965 |
| NAME | Aculene C |
| FORMULA | C14H18O2 |
| MOLECULAR WEIGHT (Da) | 218.2960 |
| ACCURATE MASS (Da) | 218.1307 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | aculeatus |
| InChIKey | UCCFSWQSMDQYHO-GXTWGEPZSA-N |
| InChI | InChI=1S/C14H18O2/c1-4-10-8-13(16)14(3)11(10)6-5-9(2)7-12(14)15/h5-6,8,12,15H,4,7H2,1-3H3/t12-,14+/m0/s1 |
| SMILES | CCC1=CC(=O)[C@@]2(C1=CC=C(C[C@@H]2O)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 |
