Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA030842
PROPERTIES
| NPAID | NPA030842 |
|---|---|
| CLUSTER ID | 8998 |
| NODE ID | 4887 |
| NAME | Geospallin B |
| FORMULA | C17H24N2O7S2 |
| MOLECULAR WEIGHT (Da) | 432.5200 |
| ACCURATE MASS (Da) | 432.1025 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Geosmithia |
| ORIGIN SPECIES | pallida FS140 |
| InChIKey | UAUFKQPIIUAFIW-RSZILCHPSA-N |
| InChI | InChI=1S/C17H24N2O7S2/c1-9(21)26-10-5-6-11(27-3)15(24)7-16(25)13(22)18(2)17(8-20,28-4)14(23)19(16)12(10)15/h5-6,10-12,20,24-25H,7-8H2,1-4H3/t10-,11-,12+,15+,16-,17-/m0/s1 |
| SMILES | CS[C@H]1C=C[C@H](OC(C)=O)[C@H]2N3C(=O)[C@](CO)(SC)N(C)C(=O)[C@@]3(O)C[C@@]12O |
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 |
