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Compounds

COMPOUND NPA028717

STRUCTURE

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PROPERTIES

NPAID	NPA028717
CLUSTER ID	283
NODE ID	257
NAME	Spumigin J
FORMULA	C32H44N4O8
MOLECULAR WEIGHT (Da)	612.7240
ACCURATE MASS (Da)	612.3159
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Anabaena
ORIGIN SPECIES	compacta NIES-835
InChIKey	GYOYQEPTCVDBLP-FTNGLENOSA-N
InChI	InChI=1S/C32H44N4O8/c1-20-17-27(31(42)35(2)26(32(43)44)5-3-4-16-33)36(19-20)30(41)25(15-10-21-6-11-23(37)12-7-21)34-29(40)28(39)18-22-8-13-24(38)14-9-22/h6-9,11-14,20,25-28,37-39H,3-5,10,15-19,33H2,1-2H3,(H,34,40)(H,43,44)/t20-,25+,26+,27-,28+/m0/s1
SMILES	C[C@H]1C[C@@H](C(=O)N(C)[C@H](CCCCN)C(=O)O)N(C(=O)[C@@H](CCC2=CC=C(O)C=C2)NC(=O)[C@H](O)CC2=CC=C(O)C=C2)C1

ORIGINAL ISOLATION REFERENCE

CITATION	Anas AR; Kisugi T; Umezawa T; Matsuda F; Campitelli MR; Quinn RJ; Okino T Thrombin inhibitors from the freshwater cyanobacterium Anabaena compacta. Journal of Natural Products 2012 75 (9) 1546-1552.
DOI	10.1021/np300282a	PMID	22950366

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Nostocales	LPSN	1161
Family	Aphanizomenonaceae	LPSN	1892259
Genus	Anabaena	LPSN	1163

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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