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Compounds

COMPOUND NPA017325

STRUCTURE

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PROPERTIES

NPAID	NPA017325
CLUSTER ID	5838
NODE ID	11
NAME	3,3-Bis-(3-indolyl)butan-2-one
FORMULA	C20H18N2O
MOLECULAR WEIGHT (Da)	302.3770
ACCURATE MASS (Da)	302.1419
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Vibrio
ORIGIN SPECIES	parahaemolyticus
InChIKey	SJAXSVWJQZVKSD-UHFFFAOYSA-N
InChI	InChI=1S/C20H18N2O/c1-13(23)20(2,16-11-21-18-9-5-3-7-14(16)18)17-12-22-19-10-6-4-8-15(17)19/h3-12,21-22H,1-2H3
SMILES	CC(=O)C(C)(C1=CNC2=CC=CC=C21)C3=CNC4=CC=CC=C43

ORIGINAL ISOLATION REFERENCE

CITATION	Veluri, Ravikanth; Oka, Imelda; Wagner-Doebler, Irene; Laatsch, Hartmut New Indole Alkaloids from the North Sea Bacterium Vibrio parahaemolyticus Bio249 Journal of Natural Products 2003 66 (11) 1520-1523.
DOI	10.1021/np030288g	PMID	14640534

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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