Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027616
PROPERTIES
| NPAID | NPA027616 |
|---|---|
| CLUSTER ID | 8281 |
| NODE ID | 5629 |
| NAME | 7-deoxy-desulfo-cylindrospermopsin |
| FORMULA | C15H21N5O3 |
| MOLECULAR WEIGHT (Da) | 319.3650 |
| ACCURATE MASS (Da) | 319.1644 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cylindrospermopsis |
| ORIGIN SPECIES | raciborskii |
| InChIKey | HKUZFYRVEQYWCO-GATYQTQLSA-N |
| InChI | InChI=1S/C15H21N5O3/c1-7-11-6-16-14-17-8(3-10(20(11)14)5-12(7)21)2-9-4-13(22)19-15(23)18-9/h4,7-8,10-12,21H,2-3,5-6H2,1H3,(H,16,17)(H2,18,19,22,23)/t7-,8+,10+,11-,12+/m1/s1 |
| SMILES | C[C@H]1[C@@H](O)C[C@@H]2C[C@H](CC3=CC(=O)[NH]C(=O)[NH]3)NC3=NC[C@H]1N32 |
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 | - |
