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Compounds

COMPOUND NPA028331

STRUCTURE

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PROPERTIES

NPAID	NPA028331
CLUSTER ID	736
NODE ID	642
NAME	Cylindrocyclophane B
FORMULA	C38H58O7
MOLECULAR WEIGHT (Da)	626.8750
ACCURATE MASS (Da)	626.4183
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Cylindrospermum
ORIGIN SPECIES	licheniforme
InChIKey	NUTUTERKXLKYNP-KZSBEIIZSA-N
InChI	InChI=1S/C38H58O7/c1-6-8-16-27-19-13-11-15-25(4)38(45-26(5)39)30-22-33(42)36(34(43)23-30)28(17-9-7-2)18-12-10-14-24(3)37(44)29-20-31(40)35(27)32(41)21-29/h20-25,27-28,37-38,40-44H,6-19H2,1-5H3/t24-,25-,27-,28-,37+,38+/m0/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](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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