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Compounds

COMPOUND NPA010660

STRUCTURE

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PROPERTIES

NPAID	NPA010660
CLUSTER ID	283
NODE ID	257
NAME	Aeruginosin IN652
FORMULA	C29H45BrN6O6
MOLECULAR WEIGHT (Da)	653.6190
ACCURATE MASS (Da)	652.2584
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Microcystis
ORIGIN SPECIES	sp. strain BHU006
InChIKey	HVTUJLWYHRJFCH-JDAMQYKPSA-N
InChI	InChI=1S/C29H45BrN6O6/c1-16(2)11-21(35-27(41)25(39)13-17-5-8-24(38)20(30)12-17)28(42)36-22-15-19(37)7-6-18(22)14-23(36)26(40)33-9-3-4-10-34-29(31)32/h5,8,12,16,18-19,21-23,25,37-39H,3-4,6-7,9-11,13-15H2,1-2H3,(H,33,40)(H,35,41)(H4,31,32,34)/t18-,19+,21+,22-,23-,25+/m0/s1
SMILES	CC(C)C[C@H](C(=O)N1[C@H]2C[C@@H](CC[C@H]2C[C@H]1C(=O)NCCCCN=C(N)N)O)NC(=O)[C@@H](CC3=CC(=C(C=C3)O)Br)O

ORIGINAL ISOLATION REFERENCE

CITATION	Elkobi-Peer, Shira; Singh, Rahul Kunwar; Mohapatra, Tribhuban Mohan; Tiwari, Shree Prakash; Carmeli, Shmuel Aeruginosins from a Microcystis sp. bloom material collected in Varanasi, India Journal of Natural Products 2013 76 (6) 1187-1190.
DOI	10.1021/np4001152	PMID	23777401

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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