Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021802
PROPERTIES
| NPAID | NPA021802 |
|---|---|
| CLUSTER ID | 118 |
| NODE ID | 112 |
| NAME | Asperitaconic acid C |
| FORMULA | C11H16O5 |
| MOLECULAR WEIGHT (Da) | 228.2440 |
| ACCURATE MASS (Da) | 228.0998 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | niger |
| InChIKey | IGSGZWAWTKVRCR-VIFPVBQESA-N |
| InChI | InChI=1S/C11H16O5/c1-7(12)5-3-4-6-9(11(15)16)8(2)10(13)14/h9H,2-6H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1 |
| SMILES | CC(=O)CCCC[C@@H](C(=C)C(=O)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ding, Lijian; Li, Te; Liao, Xiaojian; He, Shan; Xu, Shihai Asperitaconic acids A–C, antibacterial itaconic acid derivatives produced by a marine-derived fungus of the genus Aspergillus Journal of Antibiotics 2018 71 (10) 902-904. | ||
|---|---|---|---|
| DOI | 10.1038/s41429-018-0079-2 | PMID | 29973682 |
