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Compounds

COMPOUND NPA009718

STRUCTURE

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PROPERTIES

NPAID	NPA009718
CLUSTER ID	251
NODE ID	230
NAME	Jadomycin Oct
FORMULA	C29H30N2O9
MOLECULAR WEIGHT (Da)	550.5640
ACCURATE MASS (Da)	550.1951
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	venezuelae ISP5230
InChIKey	IIPQGVAAEKTISP-ZKQWNXQTSA-N
InChI	InChI=1S/C29H30N2O9/c1-12-9-15-21(17(32)10-12)23-24(31-8-4-6-16(30)29(37)40-28(15)31)27(36)22-14(26(23)35)5-3-7-19(22)39-20-11-18(33)25(34)13(2)38-20/h3,5,7,9-10,13,16,18,20,25,28,32-34H,4,6,8,11,30H2,1-2H3/t13?,16-,18+,20-,25-,28?/m0/s1
SMILES	CC1=CC(O)=C2C3=C(C(=O)C4=C(C=CC=C4O[C@H]4C[C@@H](O)[C@@H](O)C(C)O4)C3=O)N3CCC[C@H](N)C(=O)OC3C2=C1

ORIGINAL ISOLATION REFERENCE

CITATION	Robertson, Andrew W.; Martinez-Farina, Camilo F.; Smithen, Deborah A.; Yin, Huimin; Monro, Susan; Thompson, Alison; McFarland, Sherri A.; Syvitski, Raymond T.; Jakeman, David L. Eight-membered ring-containing jadomycins: Implications for non-enzymatic natural products biosynthesis Journal of the American Chemical Society 2015 137 (9) 3271-3275.
DOI	10.1021/ja5114672	PMID	25692677

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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