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Compounds

COMPOUND NPA025271

STRUCTURE

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PROPERTIES

NPAID	NPA025271
CLUSTER ID	814
NODE ID	707
NAME	Naquihexcin H
FORMULA	C40H42O21S
MOLECULAR WEIGHT (Da)	890.8220
ACCURATE MASS (Da)	890.1939
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. KIB3133
InChIKey	YKYYSFPTRCUBFI-MTMWHFOQSA-N
InChI	InChI=1S/C40H42O21S/c1-14-39(54)33(50)24-18(6-5-7-20(24)41)31(48)37(39,12-16(58-14)10-22(42)56-3)62-38-13-17(11-23(43)57-4)59-15(2)40(38,55)34(51)25-19(32(38)49)8-9-21(26(25)44)60-36-29(47)27(45)28(46)30(61-36)35(52)53/h5-9,14-17,27-30,36,41,44-47,54-55H,10-13H2,1-4H3,(H,52,53)/t14-,15-,16-,17-,27+,28+,29-,30+,36-,37+,38+,39+,40+/m0/s1
SMILES	C[C@H]1[C@]2(C(=O)C3=C(C=CC=C3O)C(=O)[C@@]2(C[C@@H](O1)CC(=O)OC)S[C@@]45C[C@@H](O[C@H]([C@]4(C(=O)C6=C(C5=O)C=CC(=C6O)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)C(=O)O)O)O)O)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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