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Compounds

COMPOUND NPA025723

STRUCTURE

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PROPERTIES

NPAID	NPA025723
CLUSTER ID	7784
NODE ID	5304
NAME	Oscillatoxin E
FORMULA	C33H45BrO8
MOLECULAR WEIGHT (Da)	649.6190
ACCURATE MASS (Da)	648.2298
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Moorea
ORIGIN SPECIES	producens
InChIKey	SXZAPDMYMYDYSU-FSGUNDMBSA-N
InChI	InChI=1S/C33H45BrO8/c1-17(9-12-25(38-7)23-13-21(35)10-11-24(23)34)30-19(3)31(39-8)29-22(18(2)16-33(5,6)32(29)42-30)14-27(36)41-26-15-28(37)40-20(26)4/h10-11,13-14,17-20,25-26,30-31,35H,9,12,15-16H2,1-8H3/b22-14+/t17-,18+,19+,20+,25-,26+,30+,31+/m0/s1
SMILES	CO[C@@H](CC[C@H](C)[C@H]1OC2=C(/C(=C/C(=O)O[C@@H]3CC(=O)O[C@@H]3C)[C@H](C)CC2(C)C)[C@H](OC)[C@@H]1C)C1=C(Br)C=CC(O)=C1

ORIGINAL ISOLATION REFERENCE

CITATION	Nagai, Hiroshi; Watanabe, Minami; Sato, Shingo; Kawaguchi, Mioko; Xiao, Yue-Yun; Hayashi, Kazutaka; Watanabe, Ryuichi; Uchida, Hajime; Satake, Masayuki New aplysiatoxin derivatives from the Okinawan cyanobacterium Moorea producens Tetrahedron 2019 75 (17) 2486-2494.
DOI	10.1016/j.tet.2019.03.020	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	Moorea	LPSN	1155738

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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