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Compounds

COMPOUND NPA005807

STRUCTURE

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EXTERNAL LINKS

PROPERTIES

NPAID	NPA005807
CLUSTER ID	1863
NODE ID	1147
NAME	BE-54017
FORMULA	C23H18ClN3O5
MOLECULAR WEIGHT (Da)	451.8660
ACCURATE MASS (Da)	451.0935
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Unknown-fungus
ORIGIN SPECIES	sp.
InChIKey	IZWAXTFKQJBRQO-PKTZIBPZSA-N
InChI	InChI=1S/C23H18ClN3O5/c1-25-14-9-8-11(24)10-13(14)16-17(25)18-19(32-3)12-6-4-5-7-15(12)27(18)23(31)21(29)26(2)20(28)22(16,23)30/h4-10,30-31H,1-3H3/t22-,23+/m1/s1
SMILES	CN1C2=C(C=C(C=C2)Cl)C3=C1C4=C(C5=CC=CC=C5N4[C@]6([C@@]3(C(=O)N(C6=O)C)O)O)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Chang, Fang-Yuan; Brady, Sean F Cloning and characterization of an environmental DNA-derived gene cluster that encodes the biosynthesis of the antitumor substance BE-54017 Journal of the American Chemical Society 2011 133 (26) 9996-9999.
DOI	10.1021/ja2022653	PMID	21542592

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Genus	Unknown-fungus	MycoBank	-

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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