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Compounds

COMPOUND NPA031257

STRUCTURE

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PROPERTIES

NPAID	NPA031257
CLUSTER ID	1378
NODE ID	1160
NAME	4-Oxo-b-ionone
FORMULA	C13H18O2
MOLECULAR WEIGHT (Da)	206.2850
ACCURATE MASS (Da)	206.1307
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Plectonema
ORIGIN SPECIES	sp.
InChIKey	OBHGOXFSRVNKBS-AATRIKPKSA-N
InChI	InChI=1S/C13H18O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6H,7-8H2,1-4H3/b6-5+
SMILES	CC(=O)/C=C/C1=C(C)C(=O)CCC1(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	Oscillatoriaceae	LPSN	1892254
Genus	Plectonema	LPSN	1183

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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