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Compounds

COMPOUND NPA022553

STRUCTURE

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PROPERTIES

NPAID	NPA022553
CLUSTER ID	353
NODE ID	318
NAME	Microginin 704
FORMULA	C35H52N4O9S
MOLECULAR WEIGHT (Da)	704.8870
ACCURATE MASS (Da)	704.3455
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Microcystis
ORIGIN SPECIES	aeruginosa (UTEX LB2385)
InChIKey	IQSISHQRPPTNJD-FEBNODRBSA-N
InChI	InChI=1S/C35H52N4O9S/c1-5-6-7-8-9-10-27(36)31(41)34(44)39(2)30(19-20-49(4)47)33(43)37-28(21-23-11-15-25(40)16-12-23)32(42)38-29(35(45)46)22-24-13-17-26(48-3)18-14-24/h11-18,27-31,40-41H,5-10,19-22,36H2,1-4H3,(H,37,43)(H,38,42)(H,45,46)/t27-,28-,29-,30-,31-,49?/m0/s1
SMILES	CCCCCCC[C@@H]([C@@H](C(=O)N(C)[C@@H](CCS(=O)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)O)O)N

ORIGINAL ISOLATION REFERENCE

CITATION	Stewart AK; Ravindra R; Van Wagoner RM; Wright JLC Metabolomics-Guided Discovery of Microginin Peptides from Cultures of the Cyanobacterium Microcystis aeruginosa. Journal of Natural Products 2018 81 (2) 349-355.
DOI	10.1021/acs.jnatprod.7b00829	PMID	29405714

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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