Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015450
PROPERTIES
| NPAID | NPA015450 |
|---|---|
| CLUSTER ID | 414 |
| NODE ID | 373 |
| NAME | Asperfumigatin |
| FORMULA | C26H31N3O7 |
| MOLECULAR WEIGHT (Da) | 497.5480 |
| ACCURATE MASS (Da) | 497.2162 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | fumigatus |
| InChIKey | RSHXVOKGTKPYNS-VWXOGXHKSA-N |
| InChI | InChI=1S/C26H31N3O7/c1-13(2)11-18(30)28-17-12-14(36-5)8-9-15(17)19-20(28)21(25(3,4)34)29-23(32)16-7-6-10-27(16)24(33)26(29,35)22(19)31/h8-9,11-12,16,21-22,31,34-35H,6-7,10H2,1-5H3/t16-,21+,22-,26+/m0/s1 |
| SMILES | CC(=CC(=O)N1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N4C(=O)[C@@H]5CCCN5C(=O)[C@@]4([C@H]3O)O)C(C)(C)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Xie, Fei; Li, Xiao-Bin; Zhou, Jin-Chuan; Xu, Qing-Qing; Wang, Xiao-Ning; Yuan, Hui-Qing; Lou, Hong-Xiang Secondary Metabolites from Aspergillus fumigatus, an Endophytic Fungus from the Liverwort Heteroscyphus tener (Steph.) Schiffn Chemistry and Biodiversity 2015 12 (9) 1313-1321. | ||
|---|---|---|---|
| DOI | 10.1002/cbdv.201400317 | PMID | 26363876 |
