Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027618
PROPERTIES
| NPAID | NPA027618 |
|---|---|
| CLUSTER ID | 8239 |
| NODE ID | 5595 |
| NAME | Decarbamoylgonyautoxin-1 |
| FORMULA | C9H16N6O8S |
| MOLECULAR WEIGHT (Da) | 368.3280 |
| ACCURATE MASS (Da) | 368.0750 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Scytonema |
| ORIGIN SPECIES | crispum |
| InChIKey | AXKNFGCPJPRVCA-WVBYAZCYSA-N |
| InChI | InChI=1S/C9H16N6O8S/c10-6-12-5-3(2-16)15(19)7(11)14-1-4(23-24(20,21)22)9(17,18)8(5,14)13-6/h3-5,11,16-19H,1-2H2,(H3,10,12,13)(H,20,21,22)/t3-,4+,5-,8-/m0/s1 |
| SMILES | N=C1N(O)[C@@H](CO)[C@@H]2N=C(N)N[C@]23N1C[C@@H](OS(=O)(=O)O)C3(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 |
