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Compounds

COMPOUND NPA022059

STRUCTURE

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PROPERTIES

NPAID	NPA022059
CLUSTER ID	6813
NODE ID	4710
NAME	Bartoloside I
FORMULA	C36H61Cl3O6
MOLECULAR WEIGHT (Da)	696.2370
ACCURATE MASS (Da)	694.3534
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Synechocystis
ORIGIN SPECIES	salina LEGE 06099
InChIKey	LWFZKXMCJDHBNJ-SLKDEOFASA-N
InChI	InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
SMILES	CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl

ORIGINAL ISOLATION REFERENCE

CITATION	Afonso, Tiago B.; Costa, M. Sofia; Rezende De Castro, Roberta; Freitas, Sara; Silva, Artur; Schneider, Maria Paula Cruz; Martins, Rosário; Leão, Pedro N. Bartolosides E-K from a Marine coccoid cyanobacterium Journal of Natural Products 2016 79 (10) 2504-2513.
DOI	10.1021/acs.jnatprod.6b00351	PMID	27680198

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Synechococcales	LPSN	1890424
Family	Merismopediaceae	LPSN	1890428
Genus	Synechocystis	LPSN	1142

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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