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Compounds

COMPOUND NPA009092

STRUCTURE

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PROPERTIES

NPAID	NPA009092
CLUSTER ID	736
NODE ID	642
NAME	Carbamidocyclophane A
FORMULA	C38H54Cl4N2O8
MOLECULAR WEIGHT (Da)	808.6680
ACCURATE MASS (Da)	806.2634
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nostoc
ORIGIN SPECIES	sp. CAVN 10
InChIKey	KQQDTKLGLAIGOF-TXPPAELQSA-N
InChI	InChI=1S/C38H54Cl4N2O8/c1-21-9-3-5-11-23(13-7-15-31(39)40)34-29(47)19-26(20-30(34)48)36(52-38(44)50)22(2)10-4-6-12-24(14-8-16-32(41)42)33-27(45)17-25(18-28(33)46)35(21)51-37(43)49/h17-24,31-32,35-36,45-48H,3-16H2,1-2H3,(H2,43,49)(H2,44,50)/t21-,22-,23?,24?,35+,36+/m0/s1
SMILES	C[C@H]1CCCCC(C2=C(C=C(C=C2O)[C@@H]([C@H](CCCCC(C3=C(C=C([C@@H]1OC(=O)N)C=C3O)O)CCCC(Cl)Cl)C)OC(=O)N)O)CCCC(Cl)Cl

ORIGINAL ISOLATION REFERENCE

CITATION	Bui, Ha T. N.; Jansen, Rolf; Pham, Hang T. L.; Mundt, Sabine Carbamidocyclophanes A-E, chlorinated paracyclophanes with cytotoxic and antibiotic activity from the Vietnamese cyanobacterium Nostoc sp Journal of Natural Products 2007 70 (4) 499-503.
DOI	10.1021/np060324m	PMID	17311455

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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