Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028906
PROPERTIES
| NPAID | NPA028906 |
|---|---|
| CLUSTER ID | 8239 |
| NODE ID | 5595 |
| NAME | 11-Hydroxydecarbamoylsaxitoxin |
| FORMULA | C9H16N6O4 |
| MOLECULAR WEIGHT (Da) | 272.2650 |
| ACCURATE MASS (Da) | 272.1233 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Dolichospermum |
| ORIGIN SPECIES | circinale AWQC 131C |
| InChIKey | VPQKXWCXDNGXQB-LIIKNNTCSA-N |
| InChI | InChI=1S/C9H16N6O4/c10-6-13-5-3(2-16)12-7(11)15-1-4(17)9(18,19)8(5,15)14-6/h3-5,16-19H,1-2H2,(H2,11,12)(H3,10,13,14)/t3-,4?,5-,8-/m0/s1 |
| SMILES | NC1=N[C@H]2[C@H](CO)N=C(N)N3CC(O)C(O)(O)[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 |
