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Compounds

COMPOUND NPA013221

STRUCTURE

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PROPERTIES

NPAID	NPA013221
CLUSTER ID	283
NODE ID	257
NAME	Aeruginosin KT650
FORMULA	C34H46N6O7
MOLECULAR WEIGHT (Da)	650.7770
ACCURATE MASS (Da)	650.3428
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Microcystis
ORIGIN SPECIES	aeruginosa
InChIKey	HUKJPWVQXNHUJQ-HMDGCWDXSA-N
InChI	InChI=1S/C34H46N6O7/c1-21(41)47-30(18-23-9-12-25(42)13-10-23)32(45)39-27(17-22-7-3-2-4-8-22)33(46)40-28-20-26(43)14-11-24(28)19-29(40)31(44)37-15-5-6-16-38-34(35)36/h2-4,7-10,12-13,24,26-30,42-43H,5-6,11,14-20H2,1H3,(H,37,44)(H,39,45)(H4,35,36,38)/t24-,26-,27-,28-,29-,30-/m1/s1
SMILES	CC(=O)O[C@H](CC1=CC=C(C=C1)O)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N3[C@@H]4C[C@@H](CC[C@@H]4C[C@@H]3C(=O)NCCCCN=C(N)N)O

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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