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Compounds

COMPOUND NPA024724

STRUCTURE

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PROPERTIES

NPAID	NPA024724
CLUSTER ID	6813
NODE ID	4710
NAME	Bartoloside A
FORMULA	C36H62Cl2O6
MOLECULAR WEIGHT (Da)	661.7920
ACCURATE MASS (Da)	660.3923
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nodosilinea
ORIGIN SPECIES	sp. LEGE 06102
InChIKey	XYNWKOXRMZVNTQ-UJGBXLCDSA-N
InChI	InChI=1S/C36H62Cl2O6/c1-3-5-7-9-14-20-29(38)21-15-10-12-18-27-24-31(39)30(23-17-11-16-22-28(37)19-13-8-6-4-2)33(25-27)44-36-35(42)34(41)32(40)26-43-36/h24-25,28-29,32,34-36,39-42H,3-23,26H2,1-2H3/t28?,29?,32-,34+,35-,36-/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

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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