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Compounds

COMPOUND NPA022173

STRUCTURE

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PROPERTIES

NPAID	NPA022173
CLUSTER ID	6835
NODE ID	4723
NAME	11-hydroxyaerothionin
FORMULA	C24H26Br4N4O9
MOLECULAR WEIGHT (Da)	834.1070
ACCURATE MASS (Da)	829.8433
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Pseudovibrio
ORIGIN SPECIES	denitrificans Ab134
InChIKey	AROOVIRXACQMLA-PAJOYRTFSA-N
InChI	InChI=1S/C24H26Br4N4O9/c1-38-17-11(25)5-23(19(34)15(17)27)7-13(31-40-23)21(36)29-4-3-10(33)9-30-22(37)14-8-24(41-32-14)6-12(26)18(39-2)16(28)20(24)35/h5-6,10,19-20,33-35H,3-4,7-9H2,1-2H3,(H,29,36)(H,30,37)/t10?,19-,20-,23+,24+/m0/s1
SMILES	COC1=C([C@@H]([C@]2(CC(=NO2)C(=O)NCCC(CNC(=O)C3=NO[C@@]4(C3)C=C(C(=C([C@@H]4O)Br)OC)Br)O)C=C1Br)O)Br

ORIGINAL ISOLATION REFERENCE

CITATION	Nicacio, Karen J.; Ióca, Laura P.; Fróes, Adriana M.; Leomil, Luciana; Appolinario, Luciana R.; Thompson, Christiane C.; Thompson, Fabiano L.; Ferreira, Antonio G.; Williams, David E.; Andersen, Raymond J.; Eustaquio, Alessandra S.; Berlinck, Roberto G. S. Cultures of the Marine Bacterium Pseudovibrio denitrificans Ab134 Produce Bromotyrosine-Derived Alkaloids Previously Only Isolated from Marine Sponges Journal of Natural Products 2017 80 (2) 235-240.
DOI	10.1021/acs.jnatprod.6b00838	PMID	28191971

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Alphaproteobacteria	LPSN	28211
Order	Rhodobacterales	LPSN	204455
Family	Rhodobacteraceae	LPSN	31989
Genus	Pseudovibrio	LPSN	258255

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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