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Compounds

COMPOUND NPA006297

STRUCTURE

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PROPERTIES

NPAID	NPA006297
CLUSTER ID	26
NODE ID	25
NAME	LL-S490β
FORMULA	C25H25N3O4
MOLECULAR WEIGHT (Da)	431.4920
ACCURATE MASS (Da)	431.1845
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	sp.
InChIKey	XDIXJDWWYMCOML-PBXXJUDPSA-N
InChI	InChI=1S/C25H25N3O4/c1-5-24(3,4)25-14-20-21(30)26-18-12-8-6-10-16(18)22(31)27(20)23(25)28(32-15(2)29)19-13-9-7-11-17(19)25/h5-13,20,23H,1,14H2,2-4H3,(H,26,30)/t20-,23+,25+/m1/s1
SMILES	CC(=O)ON1[C@H]2[C@](C[C@H]3N2C(=O)C4=CC=CC=C4NC3=O)(C5=CC=CC=C51)C(C)(C)C=C

ORIGINAL ISOLATION REFERENCE

CITATION	Ellestad, GA; Mirando, P; Kunstmann, MP Structure of the metabolite LL-S490 beta. from an unidentified Aspergillus species Journal of Organic Chemistry 1973 1973 (24) 4204-4205.
DOI	10.1021/jo00963a024	PMID	102032591

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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