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Compounds

COMPOUND NPA004942

STRUCTURE

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PROPERTIES

NPAID	NPA004942
CLUSTER ID	647
NODE ID	574
NAME	AT2433-A4
FORMULA	C28H24ClN3O7
MOLECULAR WEIGHT (Da)	549.9670
ACCURATE MASS (Da)	549.1303
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Actinomadura
ORIGIN SPECIES	melliaura ATCC 39691
InChIKey	DBYKGSYMCOHYFG-IJKWSERMSA-N
InChI	InChI=1S/C28H24ClN3O7/c1-31-26(36)18-16-11-6-3-4-9-14(11)30-20(16)22-17(19(18)27(31)37)12-7-5-8-13(29)21(12)32(22)28-24(35)23(34)25(38-2)15(10-33)39-28/h3-9,15,23-25,28,30,33-35H,10H2,1-2H3/t15-,23-,24-,25-,28-/m1/s1
SMILES	CN1C(=O)C2=C3C4=C(C(=CC=C4)Cl)N(C3=C5C(=C2C1=O)C6=CC=CC=C6N5)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)OC)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Shaaban, Khaled A.; Elshahawi, Sherif I.; Wang, Xiachang; Horn, Jamie; Kharel, Madan K.; Leggas, Markos; Thorson, Jon S. Cytotoxic Indolocarbazoles from Actinomadura melliaura ATCC 39691 Journal of Natural Products 2015 78 (7) 1723-1729.
DOI	10.1021/acs.jnatprod.5b00429	PMID	26091285

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptosporangiales	LPSN	85012
Family	Thermomonosporaceae	LPSN	2012
Genus	Actinomadura	LPSN	1988

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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