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Compounds

COMPOUND NPA002031

STRUCTURE

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PROPERTIES

NPAID	NPA002031
CLUSTER ID	283
NODE ID	257
NAME	Aeruginosin GE642
FORMULA	C28H42Cl2N6O6
MOLECULAR WEIGHT (Da)	629.5860
ACCURATE MASS (Da)	628.2543
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Microcystis
ORIGIN SPECIES	aeruginosa
InChIKey	RJHHUDDUXVNIOD-LILNBFRISA-N
InChI	InChI=1S/C28H42Cl2N6O6/c1-14(2)23(35-26(41)22(38)11-15-9-18(29)24(39)19(30)10-15)27(42)36-20-13-17(37)6-5-16(20)12-21(36)25(40)33-7-3-4-8-34-28(31)32/h9-10,14,16-17,20-23,37-39H,3-8,11-13H2,1-2H3,(H,33,40)(H,35,41)(H4,31,32,34)/t16-,17+,20-,21-,22+,23+/m0/s1
SMILES	CC(C)[C@H](C(=O)N1[C@H]2C[C@@H](CC[C@H]2C[C@H]1C(=O)NCCCCN=C(N)N)O)NC(=O)[C@@H](CC3=CC(=C(C(=C3)Cl)O)Cl)O

ORIGINAL ISOLATION REFERENCE

CITATION	Elkobi-Peer, Shira; Faigenbaum, Raya; Carmeli, Shmuel Bromine-and chlorine-containing aeruginosins from Microcystis aeruginosa bloom material collected in Kibbutz Geva, Israel Journal of Natural Products 2012 75 (12) 2144-2151.
DOI	10.1021/np3005612	PMID	23153007

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Chroococcales	LPSN	1118
Family	Microcystaceae	LPSN	1890449
Genus	Microcystis	LPSN	1125

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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