Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000667
PROPERTIES
| NPAID | NPA000667 |
|---|---|
| CLUSTER ID | 488 |
| NODE ID | 438 |
| NAME | Aspernigerin |
| FORMULA | C26H32N4O2 |
| MOLECULAR WEIGHT (Da) | 432.5680 |
| ACCURATE MASS (Da) | 432.2525 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | niger IFB‚ÄêE003 |
| InChIKey | YGKRJEXYSRSPEU-UHFFFAOYSA-N |
| InChI | InChI=1S/C26H32N4O2/c31-25(29-13-5-9-21-7-1-3-11-23(21)29)19-27-15-17-28(18-16-27)20-26(32)30-14-6-10-22-8-2-4-12-24(22)30/h1-4,7-8,11-12H,5-6,9-10,13-20H2 |
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)CN3CCN(CC3)CC(=O)N4CCCC5=CC=CC=C54 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shen, Li; Ye, Yong-Hao; Wang, Xiao-Ting; Zhu, Hai-Liang; Xu, Chen; Song, Yong-Cun; Li, Hai; Tan, Ren-Xiang Structure and Total Synthesis of Aspernigerin: A Novel Cytotoxic Endophyte Metabolite Chemistry - A European Journal 2006 12 (16) 4393-4396. | ||
|---|---|---|---|
| DOI | 10.1002/chem.200501423 | PMID | 16555343 |
SYNTHESES
| CITATION 1 | Shen, Li; Ye, Yong-Hao; Wang, Xiao-Ting; Zhu, Hai-Liang; Xu, Chen; Song, Yong-Cun; Li, Hai; Tan, Ren-Xiang Structure and Total Synthesis of Aspernigerin: A Novel Cytotoxic Endophyte Metabolite Chemistry - A European Journal 2006 12 (16) 4393-4396. DOI: 10.1002/chem.200501423 PMID: 16555343 | ||
|---|---|---|---|
