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Compounds

COMPOUND NPA005893

STRUCTURE

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PROPERTIES

NPAID	NPA005893
CLUSTER ID	2829
NODE ID	2183
NAME	19,21-Dibromooscillatoxin A
FORMULA	C31H44Br2O10
MOLECULAR WEIGHT (Da)	736.4910
ACCURATE MASS (Da)	734.1301
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Oscillatoria
ORIGIN SPECIES	nigromridis
InChIKey	DDGGYVOCCJLZJL-YJMWZKKWSA-N
InChI	InChI=1S/C31H44Br2O10/c1-16(7-8-24(39-6)20-10-23(35)22(33)11-21(20)32)28-18(3)25-13-31(42-28)29(4,5)12-17(2)30(38,43-31)14-27(37)40-19(15-34)9-26(36)41-25/h10-11,16-19,24-25,28,34-35,38H,7-9,12-15H2,1-6H3/t16-,17+,18-,19+,24-,25-,28?,30-,31-/m0/s1
SMILES	C[C@@H]1CC([C@@]23C[C@@H]([C@@H](C(O2)[C@@H](C)CC[C@@H](C4=CC(=C(C=C4Br)Br)O)OC)C)OC(=O)C[C@@H](OC(=O)C[C@@]1(O3)O)CO)(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Mynderse, Jon S.; Moore, Richard E. Toxins from blue-green algae: structures of oscillatoxin A and three related bromine-containing toxins Journal of Organic Chemistry 1978 43 (11) 2301-2303.
DOI	10.1021/jo00405a053	PMID	-

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	Oscillatoria	LPSN	1158

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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