Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000848505 | Gold | 1 |
| CCMSLIB00000849692 | Gold | 1 |
COMPOUND NPA026645
PROPERTIES
| NPAID | NPA026645 |
|---|---|
| CLUSTER ID | 63 |
| NODE ID | 59 |
| NAME | Asperiene A |
| FORMULA | C23H32O7 |
| MOLECULAR WEIGHT (Da) | 420.5020 |
| ACCURATE MASS (Da) | 420.2148 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | flavus |
| InChIKey | AVBLSPPEZPLINV-AACNEDLZSA-N |
| InChI | InChI=1S/C23H32O7/c1-14(24)16(25)8-5-6-9-18(26)30-17-12-15-13-29-20(27)23(15,28)22(4)11-7-10-21(2,3)19(17)22/h5-6,8-9,12,14,16-17,19,24-25,28H,7,10-11,13H2,1-4H3/t14-,16-,17-,19+,22+,23+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](O)C=CC=CC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu, Yun-Feng; Yue, Yu-Fei; Feng, Li-Xi; Zhu, Hua-Jie; Cao, Fei Asperienes A-D, bioactive sesquiterpenes from the marine-derived fungus aspergillus flavus Marine Drugs 2019 17 (10) None. | ||
|---|---|---|---|
| DOI | 10.3390/md17100550 | PMID | 31561527 |
