Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027615
PROPERTIES
| NPAID | NPA027615 |
|---|---|
| CLUSTER ID | 8281 |
| NODE ID | 5629 |
| NAME | 7-deoxy-desulfo-12-acetylcylindrospermopsin |
| FORMULA | C17H23N5O4 |
| MOLECULAR WEIGHT (Da) | 361.4020 |
| ACCURATE MASS (Da) | 361.1750 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cylindrospermopsis |
| ORIGIN SPECIES | raciborskii |
| InChIKey | MYFWFGYYCFRRTK-VMOOEMLUSA-N |
| InChI | InChI=1S/C17H23N5O4/c1-8-13-7-18-16-19-10(3-11-5-15(24)21-17(25)20-11)4-12(22(13)16)6-14(8)26-9(2)23/h5,8,10,12-14H,3-4,6-7H2,1-2H3,(H,18,19)(H2,20,21,24,25)/t8-,10+,12+,13-,14+/m1/s1 |
| SMILES | CC(=O)O[C@H]1C[C@@H]2C[C@H](CC3=CC(=O)[NH]C(=O)[NH]3)NC3=NC[C@H]([C@H]1C)N32 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wimmer K; Strangman W; Wright J 7-Deoxy-desulfo-cylindrospermopsin and 7-deoxy-desulfo-12-acetylcylindrospermopsin: Two new cylindrospermopsin analogs isolated from a Thai strain of Cylindrospermopsis raciborskii Harmful Algae 2014 37 203-206. | ||
|---|---|---|---|
| DOI | 10.1016/j.hal.2014.06.006 | PMID | - |
