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Compounds

COMPOUND NPA017245

STRUCTURE

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PROPERTIES

NPAID	NPA017245
CLUSTER ID	46
NODE ID	11
NAME	JBIR-116
FORMULA	C37H46O15
MOLECULAR WEIGHT (Da)	730.7600
ACCURATE MASS (Da)	730.2837
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. RI33
InChIKey	XMOSLHKCOPTYEM-XJXTYVPESA-N
InChI	InChI=1S/C37H46O15/c1-14-9-25(41)37(47)29-20(33(45)28-19(34(29)46)6-5-18(32(28)44)24-10-21(38)30(42)15(2)48-24)7-8-36(37,13-14)52-27-12-23(40)35(17(4)50-27)51-26-11-22(39)31(43)16(3)49-26/h5-8,14-17,21-24,26-27,30-31,35,38-40,42-44,47H,9-13H2,1-4H3/t14?,15-,16-,17-,21-,22-,23-,24-,26-,27-,30-,31+,35+,36?,37?/m1/s1
SMILES	C[C@@H]1[C@H]([C@@H](C[C@@H](O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C=CC5(C4(C(=O)CC(C5)C)O)O[C@@H]6C[C@H]([C@H]([C@H](O6)C)O[C@@H]7C[C@H]([C@H]([C@H](O7)C)O)O)O)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Ueda, Jun-Ya; Izumikawa, Miho; Mukai, Akira; Nagai, Aya; Hwang, Ji-Hwan; Takagi, Motoki; Shin-Ya, Kazuo New angucycline C-glycosides from Streptomyces sp. RI33 Journal of Antibiotics 2011 64 (5) 367-372.
DOI	10.1038/ja.2011.8	PMID	21326253

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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