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Compounds

COMPOUND NPA019994

STRUCTURE

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PROPERTIES

NPAID	NPA019994
CLUSTER ID	46
NODE ID	45
NAME	Cinerubin B
FORMULA	C42H51NO16
MOLECULAR WEIGHT (Da)	825.8610
ACCURATE MASS (Da)	825.3208
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp.
InChIKey	ZBDDFHXUDIPRSM-DQCCILMQSA-N
InChI	InChI=1S/C42H51NO16/c1-8-42(51)15-27(30-19(34(42)40(50)52-7)11-20-31(36(30)48)37(49)33-23(45)10-9-22(44)32(33)35(20)47)57-28-12-21(43(5)6)38(17(3)53-28)58-29-14-25-39(18(4)54-29)59-41-26(56-25)13-24(46)16(2)55-41/h9-11,16-18,21,25-29,34,38-39,41,44-45,48,51H,8,12-15H2,1-7H3/t16-,17-,18-,21-,25-,26-,27-,28-,29-,34-,38+,39+,41-,42+/m0/s1
SMILES	CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@H]7[C@@H]([C@@H](O6)C)O[C@H]8[C@@H](O7)CC(=O)[C@@H](O8)C)N(C)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Ettlinger, Leopold; Gäumann, Ernst; Hütter, Ralf; Keller-Schierlein, Walter; Kradolfer, Friedrich; Neipp, Lucien; Prelog, Vlado; Reusser, Pierre; Zähner, Hans Stoffwechselprodukte von Actinomyceten, XVI. Cinerubine Chemische Berichte 1959 92 (8) 1867-1879.
DOI	10.1002/cber.19590920820	PMID	-

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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