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Compounds

COMPOUND NPA024726

STRUCTURE

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PROPERTIES

NPAID	NPA024726
CLUSTER ID	7542
NODE ID	5159
NAME	Bartoloside C
FORMULA	C44H77ClO10
MOLECULAR WEIGHT (Da)	801.5430
ACCURATE MASS (Da)	800.5205
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nodosilinea
ORIGIN SPECIES	sp. LEGE 06155
InChIKey	HCBVATPLVALITE-MEMNPCRQSA-N
InChI	InChI=1S/C44H77ClO10/c1-4-6-8-10-12-13-14-16-18-23-27-33-35(55-44-42(52)40(50)37(47)30(3)54-44)28-31(36(38(33)48)43-41(51)39(49)34(46)29-53-43)24-20-19-22-26-32(45)25-21-17-15-11-9-7-5-2/h28,30,32,34,37,39-44,46-52H,4-27,29H2,1-3H3/t30-,32?,34+,37-,39-,40+,41+,42+,43-,44-/m0/s1
SMILES	CCCCCCCCCCCCC1=C(C=C(C(=C1O)[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCCCCC)Cl)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O

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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