Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA030841
PROPERTIES
| NPAID | NPA030841 |
|---|---|
| CLUSTER ID | 8998 |
| NODE ID | 4887 |
| NAME | Geospallin A |
| FORMULA | C18H26N2O7S2 |
| MOLECULAR WEIGHT (Da) | 446.5470 |
| ACCURATE MASS (Da) | 446.1181 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Geosmithia |
| ORIGIN SPECIES | pallida FS140 |
| InChIKey | BHOQXJLGJIKGDC-BJQVYURBSA-N |
| InChI | InChI=1S/C18H26N2O7S2/c1-10(22)27-11-6-7-12(28-4)16(25)8-17(26-3)14(23)19(2)18(9-21,29-5)15(24)20(17)13(11)16/h6-7,11-13,21,25H,8-9H2,1-5H3/t11-,12-,13+,16+,17-,18-/m0/s1 |
| SMILES | CO[C@]12C[C@@]3(O)[C@@H](SC)C=C[C@H](OC(C)=O)[C@H]3N1C(=O)[C@](CO)(SC)N(C)C2=O |
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 |
