Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023314
PROPERTIES
| NPAID | NPA023314 |
|---|---|
| CLUSTER ID | 6905 |
| NODE ID | 4770 |
| NAME | 4-epi-seco-shornephine a carboxylic acid |
| FORMULA | C25H28N2O6 |
| MOLECULAR WEIGHT (Da) | 452.5070 |
| ACCURATE MASS (Da) | 452.1947 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | alabamensis EN-547 |
| InChIKey | TXVLBRMNUYNGCT-VDABOFBKSA-N |
| InChI | InChI=1S/C25H28N2O6/c1-4-24(2,3)25(16-11-8-12-18(28)20(16)27-23(25)33)14-17(22(31)32)26-21(30)19(29)13-15-9-6-5-7-10-15/h4-12,17,19,28-29H,1,13-14H2,2-3H3,(H,26,30)(H,27,33)(H,31,32)/t17-,19+,25-/m1/s1 |
| SMILES | C=CC(C)(C)[C@@]1(C[C@@H](NC(=O)[C@@H](O)CC2=CC=CC=C2)C(=O)O)C(=O)NC2=C1C=CC=C2O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yang, Sui-Qun; Li, Xiao-Ming; Li, Xin; Chi, Lu-Ping; Wang, Bin-Gui Two new diketomorpholine derivatives and a new highly conjugated ergostane-type steroid from the marine algal-derived endophytic fungus aspergillus alabamensis EN-547 Marine Drugs 2018 16 (4) None. | ||
|---|---|---|---|
| DOI | 10.3390/md16040114 | PMID | 29614724 |
