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Compounds

COMPOUND NPA031440

STRUCTURE

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PROPERTIES

NPAID	NPA031440
CLUSTER ID	9148
NODE ID	1160
NAME	B-Ionone
FORMULA	C13H20O
MOLECULAR WEIGHT (Da)	192.3020
ACCURATE MASS (Da)	192.1514
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Calothrix
ORIGIN SPECIES	& Plectonema sp.
InChIKey	PSQYTAPXSHCGMF-BQYQJAHWSA-N
InChI	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
SMILES	CC(=O)/C=C/C1=C(C)CCCC1(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	C. Höckelmann; F. Jüttner Volatile organic compound (VOC) analysis and sources of limonene, cyclohexanone and straight chain aldehydes in axenic cultures of Calothrix and Plectonema Water Science and Technology 2004 49 (9) 47-54.
DOI	10.2166/wst.2004.0531	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Nostocales	LPSN	1161
Family	Calotrichaceae	LPSN	2661849
Genus	Calothrix	LPSN	1186

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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