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Compounds

COMPOUND NPA031969

STRUCTURE

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PROPERTIES

NPAID	NPA031969
CLUSTER ID	6386
NODE ID	642
NAME	Carbamidocylindrofridin A
FORMULA	C38H55Cl5N2O8
MOLECULAR WEIGHT (Da)	845.1290
ACCURATE MASS (Da)	842.2401
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Cylindrospermum
ORIGIN SPECIES	stagnale BEA 0605B
InChIKey	NKBHZMFKBIRIAA-LJBJXKIKSA-N
InChI	InChI=1S/C38H55Cl5N2O8/c1-22(35(52-37(44)50)25-17-28(46)21-29(47)18-25)9-3-5-11-24(12-7-15-32(40)41)34-30(48)19-26(20-31(34)49)36(53-38(45)51)23(2)10-4-6-13-27(39)14-8-16-33(42)43/h17-24,27,32-33,35-36,46-49H,3-16H2,1-2H3,(H2,44,50)(H2,45,51)/t22-,23-,24?,27?,35+,36+/m0/s1
SMILES	C[C@@H](CCCCC(Cl)CCCC(Cl)Cl)[C@@H](OC(N)=O)C1=CC(O)=C(C(CCCC[C@H](C)[C@@H](OC(N)=O)C2=CC(O)=CC(O)=C2)CCCC(Cl)Cl)C(O)=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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