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Compounds

COMPOUND NPA001728

STRUCTURE

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PROPERTIES

NPAID	NPA001728
CLUSTER ID	1100
NODE ID	947
NAME	Pseudotrienic acid A
FORMULA	C31H50N2O6
MOLECULAR WEIGHT (Da)	546.7490
ACCURATE MASS (Da)	546.3669
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Pseudomonas
ORIGIN SPECIES	sp. MF381-IODS
InChIKey	WBVCUTBXBMPSBQ-UQLNNEGESA-N
InChI	InChI=1S/C31H50N2O6/c1-4-5-6-7-8-11-14-17-27(34)21-19-25(2)20-22-29(36)33-24-28(35)26(3)31(39)32-23-16-13-10-9-12-15-18-30(37)38/h9-10,12-13,15,18-21,26-28,34-35H,4-8,11,14,16-17,22-24H2,1-3H3,(H,32,39)(H,33,36)(H,37,38)/b12-9+,13-10+,18-15+,21-19+,25-20+/t26-,27?,28-/m0/s1
SMILES	CCCCCCCCCC(/C=C/C(=C/CC(=O)NC[C@@H]([C@H](C)C(=O)NCC/C=C/C=C/C=C/C(=O)O)O)/C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Pohanka, Anton; Broberg, Anders; Johansson, Maria; Kenne, Lennart; Levenfors, Jolanta Pseudotrienic acids A and B, two bioactive metabolites from Pseudomonas sp. MF381-IODS Journal of Natural Products 2005 68 (9) 1380-1385.
DOI	10.1021/np050243a	PMID	16180818

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Gammaproteobacteria	LPSN	1236
Order	Pseudomonadales	LPSN	72274
Family	Pseudomonadaceae	LPSN	135621
Genus	Pseudomonas	LPSN	286

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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