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Compounds

COMPOUND NPA002316

STRUCTURE

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PROPERTIES

NPAID	NPA002316
CLUSTER ID	119
NODE ID	113
NAME	Splenocin J
FORMULA	C24H26N2O8
MOLECULAR WEIGHT (Da)	470.4780
ACCURATE MASS (Da)	470.1689
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. CNQ431
InChIKey	JWALONHVQNKYEL-FQUQYDMUSA-N
InChI	InChI=1S/C24H26N2O8/c1-13-19(26-22(30)16-9-6-10-18(21(16)29)25-12-27)24(32)34-14(2)20(28)17(23(31)33-13)11-15-7-4-3-5-8-15/h3-10,12-14,17,19-20,28-29H,11H2,1-2H3,(H,25,27)(H,26,30)/t13-,14+,17-,19+,20+/m1/s1
SMILES	C[C@H]1[C@@H]([C@H](C(=O)O[C@@H]([C@@H](C(=O)O1)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)CC3=CC=CC=C3)O

ORIGINAL ISOLATION REFERENCE

CITATION	Strangman, Wendy K; Kwon, Hak Cheol; Broide, David; Jensen, Paul R; Fenical, William Potent inhibitors of pro-inflammatory cytokine production produced by a marine-derived bacterium Journal of Medicinal Chemistry 2009 52 (8) 2317-2327.
DOI	10.1021/jm801110j	PMID	19323483

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptomycetales	LPSN	85011
Family	Streptomycetaceae	LPSN	2062
Genus	Streptomyces	LPSN	1883

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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