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Compounds

COMPOUND NPA006688

STRUCTURE

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PROPERTIES

NPAID	NPA006688
CLUSTER ID	1158
NODE ID	988
NAME	JBIR-109
FORMULA	C22H28N2O6
MOLECULAR WEIGHT (Da)	416.4740
ACCURATE MASS (Da)	416.1947
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. strain RM72
InChIKey	MROXIWXRMZGHLJ-DFYRDPISSA-N
InChI	InChI=1S/C22H28N2O6/c1-14(5-11-19(25)23-18(22(29)30)10-12-20(26)27)13-15(2)21(28)16-6-8-17(9-7-16)24(3)4/h5-9,11,13,15,18H,10,12H2,1-4H3,(H,23,25)(H,26,27)(H,29,30)/b11-5+,14-13+/t15-,18+/m1/s1
SMILES	C[C@H](/C=C(\C)/C=C/C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)C1=CC=C(C=C1)N(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Hosoya, Takahiro; Hirokawa, Takatsugu; Takagi, Motoki; Shin-Ya, Kazuo Trichostatin analogues JBIR-109, JBIR-110, and JBIR-111 from the marine sponge-derived streptomyces sp. RM72 Journal of Natural Products 2012 75 (2) 285-289.
DOI	10.1021/np200843k	PMID	22276693

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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