Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004688377 | Bronze | aspernigrin&A |
| CCMSLIB00004709322 | Bronze | aspernigrin&A |
| CCMSLIB00004709323 | Bronze | aspernigrin&A |
| CCMSLIB00004709324 | Bronze | aspernigrin&A |
| CCMSLIB00004709325 | Bronze | aspernigrin&A |
| CCMSLIB00004709326 | Bronze | aspernigrin&A |
| CCMSLIB00004709327 | Bronze | aspernigrin&A |
| CCMSLIB00004709328 | Bronze | aspernigrin&A |
| CCMSLIB00004709329 | Bronze | aspernigrin&A |
| CCMSLIB00004709330 | Bronze | aspernigrin&A |
| CCMSLIB00004709331 | Bronze | aspernigrin&A |
| CCMSLIB00004709332 | Bronze | aspernigrin&A |
| CCMSLIB00004709333 | Bronze | aspernigrin&A |
| CCMSLIB00004709334 | Bronze | aspernigrin&A |
| CCMSLIB00004709335 | Bronze | aspernigrin&A |
| CCMSLIB00004709336 | Bronze | aspernigrin&A |
| CCMSLIB00000847806 | Gold | 1 |
COMPOUND NPA008745
PROPERTIES
| NPAID | NPA008745 |
|---|---|
| CLUSTER ID | 3700 |
| NODE ID | 227 |
| NAME | Aspernigrin A |
| FORMULA | C13H12N2O2 |
| MOLECULAR WEIGHT (Da) | 228.2510 |
| ACCURATE MASS (Da) | 228.0899 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | niger |
| InChIKey | RUUZDCZRFRLJFC-UHFFFAOYSA-N |
| InChI | InChI=1S/C13H12N2O2/c14-13(17)11-8-15-10(7-12(11)16)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,17)(H,15,16) |
| SMILES | C1=CC=C(C=C1)CC2=CC(=O)C(=CN2)C(=O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hiort, J.; Maksimenka, K.; Reichert, M.; Perović-Ottstadt, S.; Lin, W. H.; Wray, V.; Steube, K.; Schaumann, K.; Weber, H.; Proksch, P.; Ebel, R.; Müller, W. E. G.; Bringmann, G. New Natural Products from the Sponge-Derived Fungus Aspergillus niger Journal of Natural Products 2005 68 (12) 1821-1821. | ||
|---|---|---|---|
| DOI | 10.1021/np058103o | PMID | - |
