Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA030843
PROPERTIES
| NPAID | NPA030843 |
|---|---|
| CLUSTER ID | 7105 |
| NODE ID | 4887 |
| NAME | Geospallin C |
| FORMULA | C17H22N2O7S2 |
| MOLECULAR WEIGHT (Da) | 430.5040 |
| ACCURATE MASS (Da) | 430.0868 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Geosmithia |
| ORIGIN SPECIES | pallida FS140 |
| InChIKey | UDENPRNEBPZXPX-GMKCAIKYSA-N |
| InChI | InChI=1S/C17H22N2O7S2/c1-9(21)26-11-10(22)5-6-15(25)7-16(27-3)13(23)18(2)17(8-20,28-4)14(24)19(16)12(11)15/h5-6,11-12,20,25H,7-8H2,1-4H3/t11-,12+,15-,16+,17-/m0/s1 |
| SMILES | CS[C@@]1(CO)C(=O)N2[C@@H]3[C@@H](OC(C)=O)C(=O)C=C[C@]3(O)C[C@@]2(SC)C(=O)N1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sun, ZH; Gu, J; Ye, W; Wen, LX; Lin, QB; Li, SN; Chen, YC; Li, HH; Zhang, WM Geospallins A⁻C: New Thiodiketopiperazines with Inhibitory Activity against Angiotensin-Converting Enzyme from a Deep-Sea-Derived Fungus Geosmithia pallida FS140. Marine Drugs 2018 16 (12) 464. | ||
|---|---|---|---|
| DOI | 10.3390/md16120464 | PMID | 30477129 |
