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Compounds

COMPOUND NPA019544

STRUCTURE

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PROPERTIES

NPAID	NPA019544
CLUSTER ID	839
NODE ID	728
NAME	27-deoxylyngbyabellin A
FORMULA	C29H40Cl2N4O6S2
MOLECULAR WEIGHT (Da)	675.7010
ACCURATE MASS (Da)	674.1766
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Lyngbya
ORIGIN SPECIES	bouillonii
InChIKey	MXKVWNSSDRMDBC-PWZKMPOXSA-N
InChI	InChI=1S/C29H40Cl2N4O6S2/c1-8-16(4)21-24-34-18(14-42-24)26(38)40-19(10-9-11-29(7,30)31)28(5,6)27(39)41-22(15(2)3)25-33-17(13-43-25)23(37)32-12-20(36)35-21/h13-16,19,21-22H,8-12H2,1-7H3,(H,32,37)(H,35,36)/t16-,19-,21-,22-/m0/s1
SMILES	CC[C@H](C)[C@H]1C2=NC(=CS2)C(=O)O[C@H](C(C(=O)O[C@H](C3=NC(=CS3)C(=O)NCC(=O)N1)C(C)C)(C)C)CCCC(C)(Cl)Cl

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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