Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017996
PROPERTIES
| NPAID | NPA017996 |
|---|---|
| CLUSTER ID | 414 |
| NODE ID | 373 |
| NAME | 12β-hydroxy-13α-methoxyverruculogen TR-2 |
| FORMULA | C23H29N3O6 |
| MOLECULAR WEIGHT (Da) | 443.5000 |
| ACCURATE MASS (Da) | 443.2056 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | fumigatus LN-4 |
| InChIKey | IQQGHQDLZFLSGU-YZQOHXRLSA-N |
| InChI | InChI=1S/C23H29N3O6/c1-22(2,29)11-16-18-17(13-8-7-12(31-3)10-14(13)24-18)19(32-4)23(30)21(28)25-9-5-6-15(25)20(27)26(16)23/h7-8,10,15-16,19,24,29-30H,5-6,9,11H2,1-4H3/t15-,16-,19-,23-/m0/s1 |
| SMILES | CC(C)(C[C@H]1C2=C([C@@H]([C@]3(N1C(=O)[C@@H]4CCCN4C3=O)O)OC)C5=C(N2)C=C(C=C5)OC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Xiao-Jun; Zhang, Qiang; Zhang, An-Ling; Gao, Jin-Ming Metabolites from Aspergillus fumigatus, an Endophytic Fungus Associated with Melia azedarach, and Their Antifungal, Antifeedant, and Toxic Activities Journal of Agricultural and Food Chemistry 2012 60 (13) 3424-3431. | ||
|---|---|---|---|
| DOI | 10.1021/jf300146n | PMID | 22409377 |
