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Compounds

COMPOUND NPA001595

STRUCTURE

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PROPERTIES

NPAID	NPA001595
CLUSTER ID	283
NODE ID	257
NAME	Aeruginosin 102 B
FORMULA	C33H44N6O11S
MOLECULAR WEIGHT (Da)	732.8130
ACCURATE MASS (Da)	732.2789
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Cyanobacterium
ORIGIN SPECIES	sp.
InChIKey	GIQUSRUOIKSAJD-PEBUMYOCSA-N
InChI	InChI=1S/C33H44N6O11S/c34-33(35)38-13-1-2-24(31(38)45)36-29(43)27-16-20-7-10-22(41)17-26(20)39(27)32(46)25(14-18-3-8-21(40)9-4-18)37-30(44)28(42)15-19-5-11-23(12-6-19)50-51(47,48)49/h3-6,8-9,11-12,20,22,24-28,31,40-42,45H,1-2,7,10,13-17H2,(H3,34,35)(H,36,43)(H,37,44)(H,47,48,49)/t20?,22?,24-,25-,26?,27?,28-,31?/m1/s1
SMILES	C1C[C@H](C(N(C1)C(=N)N)O)NC(=O)C2CC3CCC(CC3N2C(=O)[C@@H](CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=C(C=C5)OS(=O)(=O)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Matsuda, Hisashi; Okino, Tatsufumi; Murakami, Masahiro; Yamaguchi, Katsumi Aeruginosins 102-A and B, new thrombin inhibitors from the cyanobacterium Microcystis viridis (NIES-102) Tetrahedron 1996 52 (46) 14501-14506.
DOI	10.1016/0040-4020(96)00890-3	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Chroococcales	LPSN	1118
Family	Cyanobacteriaceae	LPSN	-
Genus	Cyanobacterium	LPSN	102234

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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