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Compounds

COMPOUND NPA028822

STRUCTURE

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PROPERTIES

NPAID	NPA028822
CLUSTER ID	8563
NODE ID	5796
NAME	Oscillatoxin I
FORMULA	C32H43BrO8
MOLECULAR WEIGHT (Da)	635.5920
ACCURATE MASS (Da)	634.2141
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Moorea
ORIGIN SPECIES	producens
InChIKey	QKLWRXPNVSGLOD-BZILHIHASA-N
InChI	InChI=1S/C32H43BrO8/c1-17(29(36)18(2)9-13-25(39-7)22-14-21(34)10-12-24(22)33)8-11-23-28(30(37)19(3)16-32(23,5)6)31(38)41-26-15-27(35)40-20(26)4/h8,10-12,14,17-20,25-26,29,34,36H,9,13,15-16H2,1-7H3/b11-8+/t17-,18-,19+,20+,25-,26+,29-/m0/s1
SMILES	CO[C@@H](CC[C@H](C)[C@@H](O)[C@@H](C)/C=C/C1=C(C(=O)O[C@@H]2CC(=O)O[C@@H]2C)C(=O)[C@H](C)CC1(C)C)C1=C(Br)C=CC(O)=C1

ORIGINAL ISOLATION REFERENCE

CITATION	Nagai H; Sato S; Iida K; Hayashi K; Kawaguchi M; Uchida H; Satake M Oscillatoxin I: A New Aplysiatoxin Derivative, from a Marine Cyanobacterium. Toxins 2019 11 (6) None.
DOI	10.3390/toxins11060366	PMID	31234410

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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