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Compounds

COMPOUND NPA007334

STRUCTURE

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PROPERTIES

NPAID	NPA007334
CLUSTER ID	283
NODE ID	257
NAME	Aeruginosin GH553
FORMULA	C29H35N3O8
MOLECULAR WEIGHT (Da)	553.6120
ACCURATE MASS (Da)	553.2424
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Microcystis
ORIGIN SPECIES	aeruginosa
InChIKey	BUDABURPHLLGEK-MKDQKPEESA-N
InChI	InChI=1S/C29H35N3O8/c1-16(33)40-22-11-6-19-14-25(27(30)37)32(24(19)15-22)29(39)23(12-17-2-7-20(34)8-3-17)31-28(38)26(36)13-18-4-9-21(35)10-5-18/h2-5,7-10,19,22-26,34-36H,6,11-15H2,1H3,(H2,30,37)(H,31,38)/t19-,22-,23-,24-,25-,26+/m1/s1
SMILES	CC(=O)O[C@@H]1CC[C@@H]2C[C@@H](N([C@@H]2C1)C(=O)[C@@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)O)C(=O)N

ORIGINAL ISOLATION REFERENCE

CITATION	Lifshits, Marina; Carmeli, Shmuel Metabolites of Microcystis aeruginosa bloom material from Lake Kinneret, Israel Journal of Natural Products 2012 75 (2) 209-219.
DOI	10.1021/np200909x	PMID	22280481

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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