Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025156
PROPERTIES
| NPAID | NPA025156 |
|---|---|
| CLUSTER ID | 7647 |
| NODE ID | 1031 |
| NAME | (1S,6S,7R)-aspergilloid E |
| FORMULA | C15H22O5 |
| MOLECULAR WEIGHT (Da) | 282.3360 |
| ACCURATE MASS (Da) | 282.1467 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | flavus |
| InChIKey | PQIDNVBKAHUVIK-MIJWNKRLSA-N |
| InChI | InChI=1S/C15H22O5/c1-8(2)11-5-4-9(3)14(18)12(11)6-10(15(19)20)7-13(16)17/h6,8,11-12,14,18H,3-5,7H2,1-2H3,(H,16,17)(H,19,20)/b10-6+/t11-,12-,14-/m1/s1 |
| SMILES | CC(C)[C@H]1CCC(=C)[C@H]([C@@H]1/C=C(\CC(=O)O)/C(=O)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 |
