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Compounds

COMPOUND NPA018553

STRUCTURE

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PROPERTIES

NPAID	NPA018553
CLUSTER ID	26
NODE ID	25
NAME	Kailuin F
FORMULA	C37H65N5O9
MOLECULAR WEIGHT (Da)	723.9530
ACCURATE MASS (Da)	723.4782
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Vibrio
ORIGIN SPECIES	sp. (Q-459)
InChIKey	GHEZHKUKWGKOHT-GUUSHFEPSA-N
InChI	InChI=1S/C37H65N5O9/c1-9-11-12-13-14-15-16-17-26-20-30(45)38-27(18-22(3)4)33(46)40-29(21-43)35(48)42-32(25(8)44)36(49)39-28(19-23(5)6)34(47)41-31(24(7)10-2)37(50)51-26/h15-16,22-29,31-32,43-44H,9-14,17-21H2,1-8H3,(H,38,45)(H,39,49)(H,40,46)(H,41,47)(H,42,48)/b16-15-/t24-,25+,26?,27+,28+,29-,31-,32-/m0/s1
SMILES	CCCCCC/C=C\CC1CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)[C@@H](C)CC)CC(C)C)[C@@H](C)O)CO)CC(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Raju, Ritesh; Kawabata, Kazutaka; Nishijima, Miyuki; Aalbersberg, William G.L. Kailuin F, a new cyclic acyldepsipeptide from a marine-derived bacterium Tetrahedron Letters 2012 53 (51) 6905-6907.
DOI	10.1016/j.tetlet.2012.10.003	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Gammaproteobacteria	LPSN	1236
Order	Vibrionales	LPSN	135623
Family	Vibrionaceae	LPSN	641
Genus	Vibrio	LPSN	662

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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