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Compounds

COMPOUND NPA014127

STRUCTURE

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PROPERTIES

NPAID	NPA014127
CLUSTER ID	2474
NODE ID	415
NAME	12-epi-fischerindole I nitrile
FORMULA	C21H21ClN2
MOLECULAR WEIGHT (Da)	336.8660
ACCURATE MASS (Da)	336.1393
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Fischerella
ORIGIN SPECIES	sp.
InChIKey	QBZITGWHJDUKFN-QSZISKGPSA-N
InChI	InChI=1S/C21H21ClN2/c1-5-21(4)14(11-23)18-13(10-16(21)22)20(2,3)19-17(18)12-8-6-7-9-15(12)24-19/h5-9,13,16,24H,1,10H2,2-4H3/t13-,16+,21-/m0/s1
SMILES	C[C@]1([C@@H](C[C@H]2C(=C1C#N)C3=C(C2(C)C)NC4=CC=CC=C43)Cl)C=C

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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