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Compounds

COMPOUND NPA016985

STRUCTURE

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PROPERTIES

NPAID	NPA016985
CLUSTER ID	736
NODE ID	642
NAME	Cylindrocyclophane C3
FORMULA	C36H53Cl3O5
MOLECULAR WEIGHT (Da)	672.1740
ACCURATE MASS (Da)	670.2959
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nostoc
ORIGIN SPECIES	sp.
InChIKey	GTLHTVNKXAOYFH-NEYNPXGUSA-N
InChI	InChI=1S/C36H53Cl3O5/c1-23-10-3-5-12-26(14-7-8-17-37)35-31(42)21-28(22-32(35)43)36(44)24(2)11-4-6-13-27(15-9-16-33(38)39)34-29(40)19-25(18-23)20-30(34)41/h19-24,26-27,33,36,40-44H,3-18H2,1-2H3/t23-,24-,26+,27+,36+/m0/s1
SMILES	C[C@H]1CCCC[C@@H](C2=C(C=C(C=C2O)[C@@H]([C@H](CCCC[C@@H](C3=C(C=C(C1)C=C3O)O)CCCC(Cl)Cl)C)O)O)CCCCCl

ORIGINAL ISOLATION REFERENCE

CITATION	Chlipala, George E.; Sturdy, Megan; Krunic, Aleksej; Lantvit, Daniel D.; Shen, Qi; Porter, Kyle; Swanson, Steven M.; Orjala, Jimmy Cylindrocyclophanes with proteasome inhibitory activity from the cyanobacterium Nostoc sp Journal of Natural Products 2010 73 (9) 1529-1537.
DOI	10.1021/np100352e	PMID	20825206

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Nostocales	LPSN	1161
Family	Nostocaceae	LPSN	1162
Genus	Nostoc	LPSN	1177

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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