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Compounds

COMPOUND NPA003189

STRUCTURE

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PROPERTIES

NPAID	NPA003189
CLUSTER ID	1805
NODE ID	1463
NAME	Turnagainolide A
FORMULA	C30H44N4O6
MOLECULAR WEIGHT (Da)	556.7040
ACCURATE MASS (Da)	556.3261
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Bacillus
ORIGIN SPECIES	sp.
InChIKey	SMWGFJCKWZCJNQ-VTKBYMJVSA-N
InChI	InChI=1S/C30H44N4O6/c1-8-19(6)26-29(38)33-25(18(4)5)30(39)40-22(15-14-21-12-10-9-11-13-21)16-23(35)32-24(17(2)3)28(37)31-20(7)27(36)34-26/h9-15,17-20,22,24-26H,8,16H2,1-7H3,(H,31,37)(H,32,35)(H,33,38)(H,34,36)/b15-14+/t19-,20+,22-,24-,25-,26-/m0/s1
SMILES	CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)O[C@H](CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)C)C(C)C)/C=C/C2=CC=CC=C2)C(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Li, Dehai; Carr, Gavin; Zhang, Yonghong; Williams, David E; Amlani, Ashraf; Bottriell, Helen; Mui, Alice L-F; Andersen, Raymond J Turnagainolides A and B, cyclic depsipeptides produced in culture by a Bacillus sp.: Isolation, structure elucidation, and synthesis Journal of Natural Products 2011 74 (5) 1093-1099.
DOI	10.1021/np200033y	PMID	21539394

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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