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Compounds

COMPOUND NPA024725

STRUCTURE

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PROPERTIES

NPAID	NPA024725
CLUSTER ID	7542
NODE ID	5159
NAME	Bartoloside B
FORMULA	C44H76Cl2O10
MOLECULAR WEIGHT (Da)	835.9880
ACCURATE MASS (Da)	834.4816
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nodosilinea
ORIGIN SPECIES	sp. LEGE 06155
InChIKey	RVFXECPBKXNNPT-OAOLDTQYSA-N
InChI	InChI=1S/C44H76Cl2O10/c1-4-6-8-10-11-12-17-23-32(46)24-18-13-15-21-30-27-35(56-44-42(53)40(51)37(48)29(3)55-44)33(26-20-14-19-25-31(45)22-16-9-7-5-2)38(49)36(30)43-41(52)39(50)34(47)28-54-43/h27,29,31-32,34,37,39-44,47-53H,4-26,28H2,1-3H3/t29-,31?,32?,34+,37-,39-,40+,41+,42+,43-,44-/m0/s1
SMILES	CCCCCCCCCC(CCCCCC1=CC(=C(C(=C1[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O)CCCCCC(CCCCCC)Cl)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)Cl

ORIGINAL ISOLATION REFERENCE

CITATION	Leão PN; Nakamura H; Costa M; Pereira AR; Martins R; Vasconcelos V; Gerwick WH; Balskus EP Biosynthesis-assisted structural elucidation of the bartolosides, chlorinated aromatic glycolipids from cyanobacteria. Angewandte Chemie International Edition 2015 54 (38) 11063-11067.
DOI	10.1002/anie.201503186	PMID	26235728

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Synechococcales	LPSN	1890424
Family	Leptolyngbyaceae	LPSN	1890438
Genus	Nodosilinea	LPSN	1120752

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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