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Compounds

COMPOUND NPA034056

STRUCTURE

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PROPERTIES

NPAID	NPA034056
CLUSTER ID	9791
NODE ID	5304
NAME	Neo-debromoaplysiatoxin C
FORMULA	C32H44O9
MOLECULAR WEIGHT (Da)	572.6950
ACCURATE MASS (Da)	572.2985
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Lyngbya
ORIGIN SPECIES	sp.
InChIKey	KWVMLAXUZXNQSG-QCSCKDOWSA-N
InChI	InChI=1S/C32H44O9/c1-18(11-12-26(38-7)22-9-8-10-23(33)14-22)30-19(2)13-25(34)24(20(3)17-32(5,6)31(37)41-30)15-28(35)40-27-16-29(36)39-21(27)4/h8-10,14,18-19,21,26-27,30,33H,11-13,15-17H2,1-7H3/b24-20-/t18-,19-,21+,26-,27+,30+/m0/s1
SMILES	CO[C@@H](CC[C@H](C)[C@H]1OC(=O)C(C)(C)C/C(C)=C(/CC(=O)O[C@@H]2CC(=O)O[C@@H]2C)C(=O)C[C@@H]1C)C1=CC(O)=CC=C1

ORIGINAL ISOLATION REFERENCE

CITATION	Tang, Yang-Hua; Liang, Ting-Ting; Fan, Ting-Ting; Keen, Lawrence Jordan; Zhang, Xiao-Dan; Xu, Lin; Zhao, Qi; Zeng, Rong; Han, Bing-Nan Neo-debromoaplysiatoxin C, with new structural rearrangement, derived from debromoaplysiatoxin. Natural Product Research 2020 34 (15) 2151-2156.
DOI	10.1080/14786419.2019.1577840	PMID	30835553

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	Lyngbya	LPSN	28073

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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