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Compounds

COMPOUND NPA001313

STRUCTURE

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PROPERTIES

NPAID	NPA001313
CLUSTER ID	60
NODE ID	56
NAME	Aflaquinolone A
FORMULA	C26H29NO5
MOLECULAR WEIGHT (Da)	435.5200
ACCURATE MASS (Da)	435.2046
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	isolate (SF-5044)
InChIKey	QWVOGENNJWSIPL-KRLQRQCXSA-N
InChI	InChI=1S/C26H29NO5/c1-16-15-25(2,14-12-20(16)28)13-11-17-9-10-19-21(22(17)29)26(31,18-7-5-4-6-8-18)23(32-3)24(30)27-19/h4-11,13,16,23,29,31H,12,14-15H2,1-3H3,(H,27,30)/b13-11+/t16-,23+,25+,26-/m0/s1
SMILES	C[C@H]1C[C@](CCC1=O)(C)/C=C/C2=C(C3=C(C=C2)NC(=O)[C@H]([C@@]3(C4=CC=CC=C4)O)OC)O

ORIGINAL ISOLATION REFERENCE

CITATION	Neff, Scott A.; Lee, Sang Un; Asami, Yukihiro; Ahn, Jong Seog; Oh, Hyuncheol; Baltrusaitis, Jonas; Gloer, James B.; Wicklow, Donald T. Aflaquinolones A-G: Secondary metabolites from marine and fungicolous isolates of aspergillus spp Journal of Natural Products 2012 75 (3) 464-472.
DOI	10.1021/np200958r	PMID	22295903

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Eurotiales	MycoBank	5042
Family	Aspergillaceae	MycoBank	1131492
Genus	Aspergillus	MycoBank	5052

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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