Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018322
PROPERTIES
| NPAID | NPA018322 |
|---|---|
| CLUSTER ID | 2736 |
| NODE ID | 2117 |
| NAME | Aspernigrin B |
| FORMULA | C27H24N2O5 |
| MOLECULAR WEIGHT (Da) | 456.4980 |
| ACCURATE MASS (Da) | 456.1685 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | niger |
| InChIKey | CPVCVIXCXKPURM-QHCPKHFHSA-N |
| InChI | InChI=1S/C27H24N2O5/c1-33-21-15-25(34-26(31)16-21)23(13-19-10-6-3-7-11-19)29-17-22(27(28)32)24(30)14-20(29)12-18-8-4-2-5-9-18/h2-11,14-17,23H,12-13H2,1H3,(H2,28,32)/t23-/m0/s1 |
| SMILES | COC1=CC(=O)OC(=C1)[C@H](CC2=CC=CC=C2)N3C=C(C(=O)C=C3CC4=CC=CC=C4)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 | - |
