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Compounds

COMPOUND NPA012603

STRUCTURE

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PROPERTIES

NPAID	NPA012603
CLUSTER ID	4714
NODE ID	3426
NAME	2,5-dimethyldodecanoic acid
FORMULA	C14H28O2
MOLECULAR WEIGHT (Da)	228.3760
ACCURATE MASS (Da)	228.2089
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Lyngbya
ORIGIN SPECIES	aestuarii
InChIKey	ABQDDNHUZOOWMZ-ZGTCLIOFSA-N
InChI	InChI=1S/C14H28O2/c1-4-5-6-7-8-9-12(2)10-11-13(3)14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)/t12?,13-/m1/s1
SMILES	CCCCCCCC(C)CC[C@@H](C)C(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Entzeroth, Michael; Mead, Dennis J.; Patterson, Gregory M.L.; Moore, Richard E. A herbicidal fatty acid produced by Lyngbya aestuarii Phytochemistry 1985 24 (12) 2875-2876.
DOI	10.1016/0031-9422(85)80017-0	PMID	-

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	Lyngbya	LPSN	28073

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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