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Compounds

COMPOUND NPA019450

STRUCTURE

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PROPERTIES

NPAID	NPA019450
CLUSTER ID	4406
NODE ID	3236
NAME	2-epi-lyngbyaloside
FORMULA	C31H49BrO10
MOLECULAR WEIGHT (Da)	661.6270
ACCURATE MASS (Da)	660.2509
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Lyngbya
ORIGIN SPECIES	bouillonii
InChIKey	OFJHCMSOFLCMIT-HSIRTTEUSA-N
InChI	InChI=1S/C31H49BrO10/c1-18-11-10-13-24(33)19(2)25-16-23(41-30-28(38-7)27(37-6)26(36-5)21(4)39-30)17-31(35,42-25)20(3)29(34)40-22(15-18)12-8-9-14-32/h8-10,12-14,18-28,30,33,35H,11,15-17H2,1-7H3/b12-8?,13-10-,14-9?/t18-,19-,20-,21-,22-,23+,24-,25+,26-,27+,28+,30-,31-/m0/s1
SMILES	C[C@H]1C/C=C\[C@@H]([C@@H]([C@H]2C[C@H](C[C@](O2)([C@H](C(=O)O[C@H](C1)C=CC=CBr)C)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)OC)OC)OC)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Matthew, Susan; Salvador, Lilibeth A.; Schupp, Peter J.; Paul, Valerie J.; Luesch, Hendrik Cytotoxic halogenated macrolides and modified peptides from the apratoxin-producing marine cyanobacterium Lyngbya bouillonii from Guam Journal of Natural Products 2010 73 (9) 1544-1552.
DOI	10.1021/np1004032	PMID	20704304

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Oscillatoriales	LPSN	1150
Family	Oscillatoriaceae	LPSN	1892254
Genus	Lyngbya	LPSN	28073

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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