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Compounds

COMPOUND NPA028511

STRUCTURE

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PROPERTIES

NPAID	NPA028511
CLUSTER ID	736
NODE ID	642
NAME	Cylindrocyclophane A
FORMULA	C36H56O6
MOLECULAR WEIGHT (Da)	584.8380
ACCURATE MASS (Da)	584.4077
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Cylindrospermum
ORIGIN SPECIES	licheniforme
InChIKey	JCKOOZUMKBNWSJ-ZLCROBAWSA-N
InChI	InChI=1S/C36H56O6/c1-5-7-15-25-17-11-9-13-23(3)36(42)28-21-31(39)34(32(40)22-28)26(16-8-6-2)18-12-10-14-24(4)35(41)27-19-29(37)33(25)30(38)20-27/h19-26,35-42H,5-18H2,1-4H3/t23-,24-,25-,26-,35+,36+/m1/s1
SMILES	CCCC[C@@H]1CCCC[C@@H](C)[C@H](O)C2=CC(O)=C(C(O)=C2)[C@H](CCCC)CCCC[C@@H](C)[C@H](O)C2=CC(O)=C1C(O)=C2

ORIGINAL ISOLATION REFERENCE

CITATION	Moore, Bradley S; Chen, Jian Lu; Patterson, Gregory ML; Moore, Richard E; Brinen, Linda S; Kato, Yoko; Clardy, Jon [7.7] Paracyclophanes from blue-green algae Journal of the American Chemical Society 1990 112 (10) 4061-4063.
DOI	10.1021/ja00166a066	PMID	-

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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