Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005453
PROPERTIES
| NPAID | NPA005453 |
|---|---|
| CLUSTER ID | 248 |
| NODE ID | 11 |
| NAME | Gymnastatin S |
| FORMULA | C19H23NO6 |
| MOLECULAR WEIGHT (Da) | 361.3940 |
| ACCURATE MASS (Da) | 361.1525 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Gymnascella |
| ORIGIN SPECIES | dankaliensis |
| InChIKey | QDUUNHXRESPFEU-UPEYRWOYSA-N |
| InChI | InChI=1S/C19H23NO6/c1-12(9-13(2)10-18(23)24)3-8-17(22)20-16(19(25)26)11-14-4-6-15(21)7-5-14/h3-9,13,16,21H,10-11H2,1-2H3,(H,20,22)(H,23,24)(H,25,26)/b8-3+,12-9+/t13-,16?/m0/s1 |
| SMILES | C[C@H](CC(=O)O)/C=C(\C)/C=C/C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hammerschmidt, Lena; Aly, Amal H.; Abdel-Aziz, Mohammed; Müller, Werner E.G.; Lin, Wenhan; Daletos, Georgios; Proksch, Peter Cytotoxic acyl amides from the soil fungus Gymnascella dankaliensis Bioorganic and Medicinal Chemistry 2015 23 (4) 712-719. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmc.2014.12.068 | PMID | 25600409 |
