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Compounds

COMPOUND NPA031258

STRUCTURE

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PROPERTIES

NPAID	NPA031258
CLUSTER ID	9099
NODE ID	1160
NAME	Tetrahydroionone
FORMULA	C13H24O
MOLECULAR WEIGHT (Da)	196.3340
ACCURATE MASS (Da)	196.1827
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Phormidium
ORIGIN SPECIES	sp.
InChIKey	PQCDGQHNORPNBR-UHFFFAOYSA-N
InChI	InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h10,12H,5-9H2,1-4H3
SMILES	CC(=O)CCC1C(C)CCCC1(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	C. Höckelmann, F. Jüttner Off-flavours in water: hydroxyketones and β-ionone derivatives as new odour compounds of freshwater cyanobacteria. Flavour and Fragrance Journal 2005 20 (4) 387-394.
DOI	10.1002/ffj.1464	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	Phormidiaceae	LPSN	-
Genus	Phormidium	LPSN	1198

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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