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Compounds

COMPOUND NPA027621

STRUCTURE

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PROPERTIES

NPAID	NPA027621
CLUSTER ID	8239
NODE ID	5595
NAME	Gonyautoxin-4
FORMULA	C10H17N7O9S
MOLECULAR WEIGHT (Da)	411.3530
ACCURATE MASS (Da)	411.0808
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Unknown
ORIGIN SPECIES	sp.
InChIKey	CETRDCWBMBILAL-LJRZAWCWSA-N
InChI	InChI=1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/t3-,4-,5-,9-/m0/s1
SMILES	N=C1N(O)[C@@H](COC(N)=O)[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

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117

CLASSYFIRE

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DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

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SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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