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Compounds

COMPOUND NPA012649

STRUCTURE

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PROPERTIES

NPAID	NPA012649
CLUSTER ID	4722
NODE ID	3430
NAME	Langkocycline B2
FORMULA	C59H71NO20
MOLECULAR WEIGHT (Da)	1114.2040
ACCURATE MASS (Da)	1113.4569
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. Acta 3034
InChIKey	PZGQTSAHVDEFSP-AUAXOKSISA-N
InChI	InChI=1S/C59H71NO20/c1-26-36(61)13-16-43(70-26)77-40-21-46(73-29(4)52(40)64)75-38-14-17-44(71-27(38)2)78-41-22-47(74-30(5)53(41)65)76-39-15-18-45(72-28(39)3)80-59-42(63)23-57(6,68)25-58(59,69)20-19-33-51(59)55-49-32(11-12-37(62)50(49)54(33)66)48(56(67)79-55)34-24-60-35-10-8-7-9-31(34)35/h7-12,19-20,24,26-30,36,38-41,43-47,52-53,61-62,64-66,68-69H,13-18,21-23,25H2,1-6H3/t26-,27-,28+,29+,30-,36-,38-,39+,40+,41-,43-,44-,45+,46-,47+,52+,53-,57+,58+,59+/m1/s1
SMILES	C[C@@H]1[C@@H](CC[C@H](O1)O[C@H]2C[C@H](O[C@H]([C@@H]2O)C)O[C@@H]3CC[C@H](O[C@@H]3C)O[C@@H]4C[C@@H](O[C@@H]([C@H]4O)C)O[C@H]5CC[C@@H](O[C@H]5C)O[C@]67C(=O)C[C@](C[C@]6(C=CC8=C(C9=C(C=CC1=C9C(=C78)OC(=O)C1=C1C=NC2=CC=CC=C21)O)O)O)(C)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Kalyon, Bahar; Tan, Geok-Yuan A; Pinto, John M; Foo, Cheau-Yee; Wiese, Jutta; Imhoff, Johannes F; Suessmuth, Roderich D; Sabaratnam, Vikineswary; Fiedler, Hans-Peter Langkocyclines: Novel angucycline antibiotics from Streptomyces sp. Acta 3034 Journal of Antibiotics 2013 66 (10) 609-616.
DOI	10.1038/ja.2013.53	PMID	23820614

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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