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Compounds

COMPOUND NPA031968

STRUCTURE

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PROPERTIES

NPAID	NPA031968
CLUSTER ID	736
NODE ID	642
NAME	Carbamidocyclophane V
FORMULA	C37H53Cl4NO6
MOLECULAR WEIGHT (Da)	749.6440
ACCURATE MASS (Da)	747.2627
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Cylindrospermum
ORIGIN SPECIES	stagnale BEA 0605B
InChIKey	VIRGUKOCQNXUQX-KFCUGCEISA-N
InChI	InChI=1S/C37H53Cl4NO6/c1-22-9-3-5-11-26(14-8-16-33(40)41)35-30(45)20-27(21-31(35)46)36(48-37(42)47)23(2)10-4-6-12-25(13-7-15-32(38)39)34-28(43)18-24(17-22)19-29(34)44/h18-23,25-26,32-33,36,43-46H,3-17H2,1-2H3,(H2,42,47)/t22-,23-,25+,26+,36+/m0/s1
SMILES	C[C@H]1CCCC[C@H](CCCC(Cl)Cl)C2=C(O)C=C(C=C2O)[C@H](OC(N)=O)[C@@H](C)CCCC[C@H](CCCC(Cl)Cl)C2=C(O)C=C(C=C2O)C1

ORIGINAL ISOLATION REFERENCE

CITATION	Pérez, Víctor Tena; Ticona, Luis Apaza; Cabanillas, Alfredo H; Corral, Santiago Maderuelo; Perles, Josefina; Valencia, Diego Fernando Rosero; Quintana, Antera Martel; Domenech, Montserrat Ortega; Sánchez, Ángel Rumbero Antitumoral potential of carbamidocyclophanes and carbamidocylindrofridin A isolated from the cyanobacterium Cylindrospermum stagnale BEA 0605B. Phytochemistry 2020 180 112529.
DOI	10.1016/j.phytochem.2020.112529	PMID	33032099

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	Cylindrospermum	LPSN	56106

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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