Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028905
PROPERTIES
| NPAID | NPA028905 |
|---|---|
| CLUSTER ID | 8567 |
| NODE ID | 5799 |
| NAME | 12,12-Dideoxydecarbamoylsaxitoxin |
| FORMULA | C9H16N6O |
| MOLECULAR WEIGHT (Da) | 224.2680 |
| ACCURATE MASS (Da) | 224.1386 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Dolichospermum |
| ORIGIN SPECIES | circinale AWQC 131C |
| InChIKey | JFYZIJPKLXIKLJ-ATVXKPNKSA-N |
| InChI | InChI=1S/C9H16N6O/c10-7-13-6-5(4-16)12-8(11)15-3-1-2-9(6,15)14-7/h5-6,16H,1-4H2,(H2,11,12)(H3,10,13,14)/t5-,6-,9+/m0/s1 |
| SMILES | NC1=N[C@H]2[C@H](CO)N=C(N)N3CCC[C@]23N1 |
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 |
