Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025155
PROPERTIES
| NPAID | NPA025155 |
|---|---|
| CLUSTER ID | 7646 |
| NODE ID | 28 |
| NAME | (1S,6R,7R,10S)-aspergilloid D |
| FORMULA | C15H22O4 |
| MOLECULAR WEIGHT (Da) | 266.3370 |
| ACCURATE MASS (Da) | 266.1518 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | flavus |
| InChIKey | ZOKQSCUWIKMMTB-FVCCEPFGSA-N |
| InChI | InChI=1S/C15H22O4/c1-8(2)10-5-6-12(15(18)19)11-4-3-9(14(16)17)7-13(10)11/h7-8,10-13H,3-6H2,1-2H3,(H,16,17)(H,18,19)/t10-,11-,12+,13-/m1/s1 |
| SMILES | CC(C)[C@H]1CC[C@@H]([C@@H]2[C@@H]1C=C(CC2)C(=O)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu Z; Zhao JY; Sun SF; Li Y; Qu J; Liu HT; Liu YB Sesquiterpenes from an Endophytic Aspergillus flavus. Journal of Natural Products 2019 82 (5) 1063-1071. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.8b01084 | PMID | 31050424 |
