Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027622
PROPERTIES
| NPAID | NPA027622 |
|---|---|
| CLUSTER ID | 8239 |
| NODE ID | 5595 |
| NAME | Gonyautoxin-6 |
| FORMULA | C10H17N7O8S |
| MOLECULAR WEIGHT (Da) | 395.3540 |
| ACCURATE MASS (Da) | 395.0859 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Raphidiopsis |
| ORIGIN SPECIES | raciborskii |
| InChIKey | ALRRPAKWGUBPBK-HGRQIUPRSA-N |
| InChI | InChI=1S/C10H17N7O8S/c11-6-13-5-4(3-25-8(18)15-26(22,23)24)17(21)7(12)16-2-1-9(19,20)10(5,16)14-6/h4-5,12,19-21H,1-3H2,(H,15,18)(H3,11,13,14)(H,22,23,24)/t4-,5-,10-/m0/s1 |
| SMILES | N=C1N(O)[C@@H](COC(=O)NS(=O)(=O)O)[C@@H]2N=C(N)N[C@]23N1CCC3(O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | D'Agostino PM; Boundy MJ; Harwood TD; Carmichael WW; Neilan BA; Wood SA Re-evaluation of paralytic shellfish toxin profiles in cyanobacteria using hydrophilic interaction liquid chromatography-tandem mass spectrometry. Toxicon 2019 158 1-7. | ||
|---|---|---|---|
| DOI | 10.1016/j.toxicon.2018.11.301 | PMID | 30471380 |
