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Compounds

COMPOUND NPA002145

STRUCTURE

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PROPERTIES

NPAID	NPA002145
CLUSTER ID	1304
NODE ID	1098
NAME	[1-(2′-methylpropoxy)-2-hydroxy-2-methylpropoxy]butane
FORMULA	C12H26O3
MOLECULAR WEIGHT (Da)	218.3370
ACCURATE MASS (Da)	218.1882
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Vibrio
ORIGIN SPECIES	angustum (S14)
InChIKey	XDNTYWKFQWLSGQ-UHFFFAOYSA-N
InChI	InChI=1S/C12H26O3/c1-6-7-8-14-11(12(4,5)13)15-9-10(2)3/h10-11,13H,6-9H2,1-5H3
SMILES	CCCCOC(C(C)(C)O)OCC(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	De Nys, Rocky; Kumar, Naresh; Sharara, Khalil A.; Srinivasan, Sujatha; Ball, Graham; Kjelleberg, Staffan A new metabolite from the marine bacterium Vibrio angustum S14 Journal of Natural Products 2001 64 (4) 531-532.
DOI	10.1021/np000512r	PMID	11325243

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Gammaproteobacteria	LPSN	1236
Order	Vibrionales	LPSN	135623
Family	Vibrionaceae	LPSN	641
Genus	Vibrio	LPSN	662

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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