Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021801
PROPERTIES
| NPAID | NPA021801 |
|---|---|
| CLUSTER ID | 118 |
| NODE ID | 112 |
| NAME | Asperitaconic acid B |
| FORMULA | C13H20O6 |
| MOLECULAR WEIGHT (Da) | 272.2970 |
| ACCURATE MASS (Da) | 272.1260 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | niger |
| InChIKey | KGTVAJSWHXHSPP-NSHDSACASA-N |
| InChI | InChI=1S/C13H20O6/c1-9(12(15)16)11(13(17)18)7-5-3-4-6-8-19-10(2)14/h11H,1,3-8H2,2H3,(H,15,16)(H,17,18)/t11-/m0/s1 |
| SMILES | CC(=O)OCCCCCC[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 |
