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Compounds

COMPOUND NPA024697

STRUCTURE

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PROPERTIES

NPAID	NPA024697
CLUSTER ID	1072
NODE ID	922
NAME	Warkmycin CS1
FORMULA	C48H65NO22
MOLECULAR WEIGHT (Da)	1008.0330
ACCURATE MASS (Da)	1007.3998
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp.
InChIKey	BVFQLQJRBYDONH-DDEJJMJQSA-N
InChI	InChI=1S/C48H65NO22/c1-17-13-29(70-31-15-27(62-8)36(51)20(4)65-31)47(60)35-34(41(56)44(67-22(6)50)48(47,61)42(17)57)40(55)33-24(39(35)54)10-9-23(38(33)53)26-14-28(37(52)19(3)63-26)68-32-16-46(7,59)43(21(5)66-32)71-30-12-11-25(18(2)64-30)69-45(49)58/h9-10,13,18-21,25-32,36-37,41-44,51-53,56-57,59-61H,11-12,14-16H2,1-8H3,(H2,49,58)/t18-,19-,20+,21-,25+,26-,27-,28-,29+,30+,31-,32+,36-,37-,41+,42-,43-,44+,46+,47-,48+/m1/s1
SMILES	C[C@@H]1[C@H](CC[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@]2(C)O)O[C@@H]3C[C@@H](O[C@@H]([C@H]3O)C)C4=C(C5=C(C=C4)C(=O)C6=C(C5=O)[C@@H]([C@@H]([C@@]7([C@]6([C@H](C=C([C@H]7O)C)O[C@@H]8C[C@H]([C@@H]([C@@H](O8)C)O)OC)O)O)OC(=O)C)O)O)C)OC(=O)N

ORIGINAL ISOLATION REFERENCE

CITATION	Malmierca MG; González-Montes L; Pérez-Victoria I; Sialer C; Braña AF; García Salcedo R; Martín J; Reyes F; Méndez C; Olano C; Salas JA Searching for Glycosylated Natural Products in Actinomycetes and Identification of Novel Macrolactams and Angucyclines. Frontiers in Microbiology 2018 9 39.
DOI	10.3389/fmicb.2018.00039	PMID	29441046

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptomycetales	LPSN	85011
Family	Streptomycetaceae	LPSN	2062
Genus	Streptomyces	LPSN	1883

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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