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Compounds

COMPOUND NPA025273

STRUCTURE

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PROPERTIES

NPAID	NPA025273
CLUSTER ID	814
NODE ID	707
NAME	Naquihexcin J
FORMULA	C39H42O19S
MOLECULAR WEIGHT (Da)	846.8130
ACCURATE MASS (Da)	846.2041
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. KIB3133
InChIKey	LCLNCYJYRZHLDP-MADLVQMOSA-N
InChI	InChI=1S/C39H42O19S/c1-15-38(52)32(48)24-19(6-4-8-21(24)40)30(46)36(38,13-17(56-15)10-11-55-35-28(45)26(43)27(44)29(58-35)34(50)51)59-37-14-18(12-23(42)54-3)57-16(2)39(37,53)33(49)25-20(31(37)47)7-5-9-22(25)41/h4-9,15-18,26-29,35,40-41,43-45,52-53H,10-14H2,1-3H3,(H,50,51)/t15-,16-,17-,18-,26+,27+,28-,29+,35-,36+,37+,38+,39+/m0/s1
SMILES	C[C@H]1[C@]2(C(=O)C3=C(C=CC=C3O)C(=O)[C@@]2(C[C@@H](O1)CCO[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O)S[C@@]56C[C@@H](O[C@H]([C@]5(C(=O)C7=C(C6=O)C=CC=C7O)O)C)CC(=O)OC)O

ORIGINAL ISOLATION REFERENCE

CITATION	He X; Wang Y; Luo RH; Yang LM; Wang L; Guo D; Yang J; Deng Y; Zheng YT; Huang SX Dimeric Pyranonaphthoquinone Glycosides with Anti-HIV and Cytotoxic Activities from a Soil-Derived Streptomyces. Journal of Natural Products 2019 82 (7) 1813-1819.
DOI	10.1021/acs.jnatprod.9b00022	PMID	31310115

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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