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Compounds

COMPOUND NPA019543

STRUCTURE

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PROPERTIES

NPAID	NPA019543
CLUSTER ID	283
NODE ID	257
NAME	Aeruginosin 103-A
FORMULA	C35H48N6O8
MOLECULAR WEIGHT (Da)	680.8030
ACCURATE MASS (Da)	680.3534
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Microcystis
ORIGIN SPECIES	viridis NIES-103
InChIKey	ZHFMOYWZDUNUOY-IQYNOVPGSA-N
InChI	InChI=1S/C35H48N6O8/c1-2-49-34-26(4-3-15-40(34)35(36)37)38-31(46)29-18-22-9-14-25(44)19-28(22)41(29)33(48)27(16-20-5-10-23(42)11-6-20)39-32(47)30(45)17-21-7-12-24(43)13-8-21/h5-8,10-13,22,25-30,34,42-45H,2-4,9,14-19H2,1H3,(H3,36,37)(H,38,46)(H,39,47)/t22?,25?,26-,27+,28?,29?,30+,34+/m0/s1
SMILES	CCO[C@@H]1[C@H](CCCN1C(=N)N)NC(=O)C2CC3CCC(CC3N2C(=O)[C@@H](CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=C(C=C5)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Kodani, Shinya; Ishida, Keishi; Murakami, Masahiro Aeruginosin 103-A, a thrombin inhibitor from the cyanobacterium Microcystis viridis Journal of Natural Products 1998 61 (8) 1046-1048.
DOI	10.1021/np980106w	PMID	9722497

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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