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Compounds

COMPOUND NPA017487

STRUCTURE

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PROPERTIES

NPAID	NPA017487
CLUSTER ID	1363
NODE ID	1146
NAME	Fijiolide B
FORMULA	C32H36Cl2N2O9
MOLECULAR WEIGHT (Da)	663.5510
ACCURATE MASS (Da)	662.1798
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nocardiopsis
ORIGIN SPECIES	sp. CNS-653
InChIKey	SGICAIWTPRUYBA-XHXKVFPOSA-N
InChI	InChI=1S/C32H36Cl2N2O9/c1-31(2)28(36(3)4)25(40)26(41)30(44-31)45-32-9-5-6-17(32)23-16-8-7-15(24(23)34)21(38)13-42-22(39)12-19(35)14-10-18(33)27(20(37)11-14)43-29(16)32/h5-11,19,21,25-26,28-30,37-38,40-41H,12-13,35H2,1-4H3/t19-,21-,25-,26+,28-,29+,30-,32+/m0/s1
SMILES	CC1([C@H]([C@H]([C@H]([C@@H](O1)O[C@]23C=CC=C2C4=C5[C@H]3OC6=C(C=C(C=C6Cl)[C@H](CC(=O)OC[C@@H](C(=C4Cl)C=C5)O)N)O)O)O)N(C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Nam, Sang-Jip; Gaudencio, Susana P.; Kauffman, Christopher A.; Jensen, Paul R.; Kondratyuk, Tamara P.; Marler, Laura E.; Pezzuto, John M.; Fenical, William Fijiolides A and B, inhibitors of TNF-α-induced NFκB activation, from a marine-derived sediment bacterium of the genus Nocardiopsis Journal of Natural Products 2010 73 (6) 1080-1086.
DOI	10.1021/np100087c	PMID	20481500

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptosporangiales	LPSN	85012
Family	Nocardiopsaceae	LPSN	83676
Genus	Nocardiopsis	LPSN	2013

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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