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Compounds

COMPOUND NPA029863

STRUCTURE

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PROPERTIES

NPAID	NPA029863
CLUSTER ID	2829
NODE ID	2183
NAME	3-methoxydebromoaplysiatoxin
FORMULA	C33H50O10
MOLECULAR WEIGHT (Da)	606.7530
ACCURATE MASS (Da)	606.3404
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Trichodesmium
ORIGIN SPECIES	erythraeum
InChIKey	QMLZCOSZAXKRTJ-UYVXPFFSSA-N
InChI	InChI=1S/C33H50O10/c1-19(12-13-25(38-7)23-10-9-11-24(35)14-23)30-21(3)27-17-33(42-30)31(5,6)16-20(2)32(39-8,43-33)18-29(37)40-26(22(4)34)15-28(36)41-27/h9-11,14,19-22,25-27,30,34-35H,12-13,15-18H2,1-8H3/t19-,20+,21-,22+,25-,26+,27-,30+,32-,33-/m0/s1
SMILES	CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](OC)(O2)[C@H](C)CC3(C)C)[C@@H]1C)C1=CC(O)=CC=C1

ORIGINAL ISOLATION REFERENCE

CITATION	Gupta, DK; Kaur, P; Leong, ST; Tan, LT; Prinsep, MR; Chu, JJ Anti-Chikungunya viral activities of aplysiatoxin-related compounds from the marine cyanobacterium Trichodesmium erythraeum. Marine Drugs 2014 12 (1) 115-127.
DOI	10.3390/md12010115	PMID	24394406

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Oscillatoriales	LPSN	1150
Family	Microcoleaceae	LPSN	1892252
Genus	Trichodesmium	LPSN	1205

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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