Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA031546
PROPERTIES
| NPAID | NPA031546 |
|---|---|
| CLUSTER ID | 819 |
| NODE ID | 711 |
| NAME | Necroxime D |
| FORMULA | C23H26N2O8 |
| MOLECULAR WEIGHT (Da) | 458.4670 |
| ACCURATE MASS (Da) | 458.1689 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Burkholderia |
| ORIGIN SPECIES | sp. HKI-0404, isolate B8 |
| InChIKey | WMEKNEKHVSSIHM-ZNNZSDNQSA-N |
| InChI | InChI=1S/C23H26N2O8/c1-31-25-12-4-8-19(29)24-11-3-6-15-13-18(28)22-21(33-22)17(27)10-9-14-5-2-7-16(26)20(14)23(30)32-15/h2-5,7-12,15,17-18,21-22,26-28H,6,13H2,1H3,(H,24,29)/b8-4-,10-9?,11-3?,25-12?/t15-,17-,18+,21-,22+/m0/s1 |
| SMILES | CON=C/C=C\C(=O)NC=CC[C@H]1C[C@@H](O)[C@H]2O[C@H]2[C@@H](O)C=CC2=C(C(=O)O1)C(O)=CC=C2 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Niehs, Sarah P; Dose, Benjamin; Richter, Sophie; Pidot, Sacha J; Dahse, Hans-Martin; Stinear, Timothy P; Hertweck, Christian Mining Symbionts of a Spider-Transmitted Fungus Illuminates Uncharted Biosynthetic Pathways to Cytotoxic Benzolactones. Angewandte Chemie International Edition 2020 59 (20) 7766-7771. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201916007 | PMID | 32040253 |
