Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023313
PROPERTIES
| NPAID | NPA023313 |
|---|---|
| CLUSTER ID | 6905 |
| NODE ID | 4770 |
| NAME | 4-epi-seco-shornephine a methyl ester |
| FORMULA | C26H30N2O6 |
| MOLECULAR WEIGHT (Da) | 466.5340 |
| ACCURATE MASS (Da) | 466.2104 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | alabamensis EN-547 |
| InChIKey | NLJQJJGYCFVOFQ-ZTEVPRNISA-N |
| InChI | InChI=1S/C26H30N2O6/c1-5-25(2,3)26(17-12-9-13-19(29)21(17)28-24(26)33)15-18(23(32)34-4)27-22(31)20(30)14-16-10-7-6-8-11-16/h5-13,18,20,29-30H,1,14-15H2,2-4H3,(H,27,31)(H,28,33)/t18-,20+,26-/m1/s1 |
| SMILES | C=CC(C)(C)[C@@]1(C[C@@H](NC(=O)[C@@H](O)CC2=CC=CC=C2)C(=O)OC)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 |
