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Compounds

COMPOUND NPA008514

STRUCTURE

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PROPERTIES

NPAID	NPA008514
CLUSTER ID	283
NODE ID	257
NAME	Aeruginoside 126B
FORMULA	C34H54N6O9
MOLECULAR WEIGHT (Da)	690.8390
ACCURATE MASS (Da)	690.3952
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Planktothrix
ORIGIN SPECIES	agardhii CYA126/8
InChIKey	JUHSPAYJBZKQRH-IBWPONKNSA-N
InChI	InChI=1S/C34H54N6O9/c1-19(2)14-23(39-31(46)26(41)15-20-8-4-3-5-9-20)32(47)40-24-17-22(49-33-29(44)28(43)27(42)18-48-33)11-10-21(24)16-25(40)30(45)37-12-6-7-13-38-34(35)36/h3-5,8-9,19,21-29,33,41-44H,6-7,10-18H2,1-2H3,(H,37,45)(H,39,46)(H4,35,36,38)/t21-,22+,23+,24-,25-,26+,27+,28-,29+,33+/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[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)NC(=O)[C@@H](CC4=CC=CC=C4)O

ORIGINAL ISOLATION REFERENCE

CITATION	Ishida, Keishi; Christiansen, Guntram; Yoshida, Wesley Y; Kurmayer, Rainer; Welker, Martin; Valls, Nativitat; Bonjoch, Josep; Hertweck, Christian; Börner, Thomas; Hemscheidt, Thomas; Dittmann, Elke Biosynthesis and structure of aeruginoside 126A and 126B, cyanobacterial peptide glycosides bearing a 2-carboxy-6-hydroxyoctahydroindole moiety Chemistry & Biology 2007 14 (5) 565.
DOI	10.1016/j.chembiol.2007.04.006	PMID	17524987

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Oscillatoriales	LPSN	1150
Family	Oscillatoriaceae	LPSN	1892254
Genus	Planktothrix	LPSN	54304

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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