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Compounds

COMPOUND NPA023994

STRUCTURE

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PROPERTIES

NPAID	NPA023994
CLUSTER ID	7335
NODE ID	5025
NAME	Trichotoxin B
FORMULA	C20H31ClO
MOLECULAR WEIGHT (Da)	322.9200
ACCURATE MASS (Da)	322.2063
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Trichodesmium
ORIGIN SPECIES	thiebautii
InChIKey	WKRSVZWXGDTWNJ-UELXYIEESA-N
InChI	InChI=1S/C20H31ClO/c1-5-7-8-9-10-12-19(16-21)14-13-17(3)15-18(4)20(22)11-6-2/h1,6,15-17,20,22H,2,7-14H2,3-4H3/b18-15+,19-16-/t17-,20+/m0/s1
SMILES	C[C@@H](CC/C(=C\Cl)/CCCCCC#C)/C=C(\C)/[C@@H](CC=C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Bertin, Matthew J.; Zimba, Paul V.; He, Haiyin; Moeller, Peter D.R. Structure revision of trichotoxin, a chlorinated polyketide isolated from a Trichodesmium thiebautii bloom Tetrahedron Letters 2016 57 (52) 5864-5867.
DOI	10.1016/j.tetlet.2016.11.062	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Oscillatoriales	LPSN	1150
Family	Microcoleaceae	LPSN	1892252
Genus	Trichodesmium	LPSN	1205

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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