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Compounds

COMPOUND NPA019525

STRUCTURE

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PROPERTIES

NPAID	NPA019525
CLUSTER ID	119
NODE ID	113
NAME	Splenocin I
FORMULA	C31H30N2O9
MOLECULAR WEIGHT (Da)	574.5860
ACCURATE MASS (Da)	574.1951
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. CNQ431
InChIKey	CDFGTWCLDDDNOL-YMWAZFFASA-N
InChI	InChI=1S/C31H30N2O9/c1-18-25(33-28(36)22-14-9-15-24(26(22)35)32-17-34)31(39)41-19(2)27(42-29(37)21-12-7-4-8-13-21)23(30(38)40-18)16-20-10-5-3-6-11-20/h3-15,17-19,23,25,27,35H,16H2,1-2H3,(H,32,34)(H,33,36)/t18-,19+,23-,25+,27+/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)OC(=O)C4=CC=CC=C4

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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