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Compounds

COMPOUND NPA028333

STRUCTURE

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PROPERTIES

NPAID	NPA028333
CLUSTER ID	736
NODE ID	642
NAME	Cylindrocyclophane D
FORMULA	C40H60O8
MOLECULAR WEIGHT (Da)	668.9120
ACCURATE MASS (Da)	668.4288
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Cylindrospermum
ORIGIN SPECIES	licheniforme
InChIKey	ISFVAVZOVOHZSB-IUWWWGALSA-N
InChI	InChI=1S/C40H60O8/c1-7-9-17-29-19-13-11-15-25(3)40(48-28(6)42)32-23-35(45)38(36(46)24-32)30(18-10-8-2)20-14-12-16-26(4)39(47-27(5)41)31-21-33(43)37(29)34(44)22-31/h21-26,29-30,39-40,43-46H,7-20H2,1-6H3/t25-,26-,29-,30-,39+,40+/m0/s1
SMILES	CCCC[C@H]1CCCC[C@H](C)[C@@H](OC(C)=O)C2=CC(O)=C(C(O)=C2)[C@@H](CCCC)CCCC[C@H](C)[C@@H](OC(C)=O)C2=CC(O)=C1C(O)=C2

ORIGINAL ISOLATION REFERENCE

CITATION	Moore B;Chen J;Patterson G;Moore R Structures of cylindrocyphanes A-F Tetrahedron 1992 48 (15) 3001-3006.
DOI	10.1016/s0040-4020(01)92244-6	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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