Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033975
PROPERTIES
| NPAID | NPA033975 |
|---|---|
| CLUSTER ID | 9761 |
| NODE ID | 6528 |
| NAME | Asperalacid E |
| FORMULA | C21H32O8 |
| MOLECULAR WEIGHT (Da) | 412.4790 |
| ACCURATE MASS (Da) | 412.2097 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | alabamensis |
| InChIKey | PCISLGODEAVDRD-RKNMXGACSA-N |
| InChI | InChI=1S/C21H32O8/c1-11(10-28-20-18(25)17(24)16(23)15(9-22)29-20)13-6-8-21(2)7-5-12(19(26)27)3-4-14(13)21/h5,14-18,20,22-25H,3-4,6-10H2,1-2H3,(H,26,27)/b13-11+/t14-,15+,16+,17-,18+,20-,21-/m0/s1 |
| SMILES | C/C(CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C1/CC[C@]2(C)CC=C(C(=O)O)CC[C@@H]12 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hu, Zhibo; Zhu, Yujiao; Chen, Jun; Chen, Junjie; Li, Chunyuan; Gao, Zhizeng; Li, Jing; Liu, Lan Sesquiterpenoids with Phytotoxic and Antifungal Activities from a Pathogenic Fungus Aspergillus alabamensis. Journal of Agricultural and Food Chemistry 2022 70 (38) 12065-12073. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jafc.2c05703 | PMID | 36109198 |
