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Compounds

COMPOUND NPA008125

STRUCTURE

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PROPERTIES

NPAID	NPA008125
CLUSTER ID	2829
NODE ID	2183
NAME	19-Bromoaplysiatoxin
FORMULA	C32H46Br2O10
MOLECULAR WEIGHT (Da)	750.5180
ACCURATE MASS (Da)	748.1458
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Oscillatoria
ORIGIN SPECIES	nigromridis
InChIKey	PIULICRFTROOFA-LDWGSMAJSA-N
InChI	InChI=1S/C32H46Br2O10/c1-16(8-9-24(40-7)20-10-23(36)22(34)11-21(20)33)29-18(3)26-14-32(43-29)30(5,6)13-17(2)31(39,44-32)15-28(38)41-25(19(4)35)12-27(37)42-26/h10-11,16-19,24-26,29,35-36,39H,8-9,12-15H2,1-7H3/t16-,17+,18-,19?,24-,25+,26-,29?,31-,32-/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)C(C)O)(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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