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Compounds

COMPOUND NPA021812

STRUCTURE

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PROPERTIES

NPAID	NPA021812
CLUSTER ID	6386
NODE ID	642
NAME	Cylindrofridin C
FORMULA	C40H61ClO8
MOLECULAR WEIGHT (Da)	705.3730
ACCURATE MASS (Da)	704.4055
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Cylindrospermum
ORIGIN SPECIES	stagnale PCC 7417
InChIKey	GTRRNAAYKNENPF-ZQUJOIDOSA-N
InChI	InChI=1S/C40H61ClO8/c1-7-9-17-30(18-13-11-15-26(3)39(48-28(5)42)31-21-34(44)25-35(45)22-31)38-36(46)23-32(24-37(38)47)40(49-29(6)43)27(4)16-12-14-20-33(41)19-10-8-2/h21-27,30,33,39-40,44-47H,7-20H2,1-6H3/t26-,27-,30-,33?,39+,40+/m0/s1
SMILES	CCCC[C@@H](CCCC[C@H](C)[C@H](C1=CC(=CC(=C1)O)O)OC(=O)C)C2=C(C=C(C=C2O)[C@@H]([C@@H](C)CCCCC(CCCC)Cl)OC(=O)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Preisitsch, Michael; Niedermeyer, Timo H. J.; Heiden, Stefan E.; Neidhardt, Inga; Kumpfmüller, Jana; Wurster, Martina; Harmrolfs, Kirsten; Wiesner, Christoph; Enke, Heike; Müller, Rolf; Mundt, Sabine Cylindrofridins A-C, Linear Cylindrocyclophane-Related Alkylresorcinols from the Cyanobacterium Cylindrospermum stagnale Journal of Natural Products 2016 79 (1) 106-115.
DOI	10.1021/acs.jnatprod.5b00768	PMID	26684177

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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