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Compounds

COMPOUND NPA027625

STRUCTURE

Image structure

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PROJECT MOLECULE TO GLOBAL VIEW	See Global

EXTERNAL LINKS

PROPERTIES

NPAID	NPA027625
CLUSTER ID	8239
NODE ID	5595
NAME	12α-Deoxy-deoxysaxitoxin
FORMULA	C9H16N6O
MOLECULAR WEIGHT (Da)	224.2680
ACCURATE MASS (Da)	224.1386
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Unknown
ORIGIN SPECIES	sp.
InChIKey	QREWPEMPVQOBAA-WWSLTDMBSA-N
InChI	InChI=1S/C9H16N6O/c1-4-6-9(14-7(10)13-6)5(16)2-3-15(9)8(11)12-4/h4-6,16H,2-3H2,1H3,(H2,11,12)(H3,10,13,14)/t4-,5-,6-,9+/m0/s1
SMILES	C[C@@H]1N=C(N)N2CC[C@H](O)[C@@]23NC(N)=N[C@@H]13

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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