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Compounds

COMPOUND NPA008788

STRUCTURE

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PROPERTIES

NPAID	NPA008788
CLUSTER ID	3714
NODE ID	415
NAME	12-epi-fischerindole W nitrile
FORMULA	C21H19ClN2
MOLECULAR WEIGHT (Da)	334.8500
ACCURATE MASS (Da)	334.1237
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Fischerella
ORIGIN SPECIES	sp.
InChIKey	IJADLSDSEAXAAQ-XPIZARPCSA-N
InChI	InChI=1S/C21H19ClN2/c1-4-21(3)15(11-23)18-13(10-17(21)22)9-12(2)20-19(18)14-7-5-6-8-16(14)24-20/h4-9,15,17,24H,1,10H2,2-3H3/t15-,17+,21-/m0/s1
SMILES	CC1=C2C(=C3[C@@H]([C@]([C@@H](CC3=C1)Cl)(C)C=C)C#N)C4=CC=CC=C4N2

ORIGINAL ISOLATION REFERENCE

CITATION	Kim, Hyunjung; Krunic, Aleksej; Lantvit, Daniel; Shen, Qi; Kroll, David J.; Swanson, Steven M.; Orjala, Jimmy Nitrile-containing fischerindoles from the cultured cyanobacterium Fischerella sp Tetrahedron 2012 68 (15) 3205-3209.
DOI	10.1016/j.tet.2012.02.048	PMID	22470225

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Nostocales	LPSN	1161
Family	Hapalosiphonaceae	LPSN	1892263
Genus	Fischerella	LPSN	1190

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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