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Compounds

COMPOUND NPA009357

STRUCTURE

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PROPERTIES

NPAID	NPA009357
CLUSTER ID	394
NODE ID	11
NAME	Isochaetominine A
FORMULA	C24H22N4O4
MOLECULAR WEIGHT (Da)	430.4640
ACCURATE MASS (Da)	430.1641
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	sp.
InChIKey	NBKVRNRJWWLJKF-RJADORODSA-N
InChI	InChI=1S/C24H22N4O4/c1-13(2)19-22(31)27-17-10-6-4-8-15(17)24(32)11-18(21(30)28(19)23(24)27)26-12-25-16-9-5-3-7-14(16)20(26)29/h3-10,12-13,18-19,23,32H,11H2,1-2H3/t18-,19+,23+,24-/m1/s1
SMILES	CC(C)[C@H]1C(=O)N2[C@H]3N1C(=O)[C@@H](C[C@]3(C4=CC=CC=C42)O)N5C=NC6=CC=CC=C6C5=O

ORIGINAL ISOLATION REFERENCE

CITATION	Liao, Lijuan; You, Minjung; Chung, Beom Koo; Oh, Dong-Chan; Oh, Ki-Bong; Shin, Jongheon Alkaloidal metabolites from a marine-derived Aspergillus sp. fungus Journal of Natural Products 2015 78 (3) 349-354.
DOI	10.1021/np500683u	PMID	25581396

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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