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Compounds

COMPOUND NPA017878

STRUCTURE

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PROPERTIES

NPAID	NPA017878
CLUSTER ID	1818
NODE ID	1472
NAME	(+)-ethyl homononactyl nonactate
FORMULA	C23H40O7
MOLECULAR WEIGHT (Da)	428.5660
ACCURATE MASS (Da)	428.2774
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Bacillus
ORIGIN SPECIES	pumilus
InChIKey	ZVKREMVFSQFIJJ-OJCIERFFSA-N
InChI	InChI=1S/C23H40O7/c1-6-17(13-19-9-11-20(29-19)15(4)22(25)27-7-2)30-23(26)16(5)21-10-8-18(28-21)12-14(3)24/h14-21,24H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-,21+/m1/s1
SMILES	CC[C@@H](C[C@@H]1CC[C@@H](O1)[C@@H](C)C(=O)OCC)OC(=O)[C@@H](C)[C@@H]2CC[C@@H](O2)C[C@@H](C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Han, Li; Huo, Peiyuan; Chen, Huahong; Li, Songtao; Jiang, Yi; Li, Liya; Xu, Lihua; Jiang, Chenglin; Huang, Xueshi New derivatives of nonactic and homononactic acids from Bacillus pumilus derived from Breynia fruticosa Chemistry and Biodiversity 2014 11 (7) 1088-1098.
DOI	10.1002/cbdv.201300350	PMID	25044594

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Firmicutes	LPSN	1239
Class	Bacilli	LPSN	91061
Order	Bacillales	LPSN	1385
Family	Bacillaceae	LPSN	186817
Genus	Bacillus	LPSN	1386

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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