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Compounds

COMPOUND NPA012467

STRUCTURE

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PROPERTIES

NPAID	NPA012467
CLUSTER ID	26
NODE ID	25
NAME	Xentrivalpeptide L
FORMULA	C43H67N7O9
MOLECULAR WEIGHT (Da)	826.0490
ACCURATE MASS (Da)	825.5000
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Xenorhabdus
ORIGIN SPECIES	sp. 85816
InChIKey	RSWKXBQPPHRRRM-STDQDTGYSA-N
InChI	InChI=1S/C43H67N7O9/c1-22(2)20-29-42(57)50-19-15-18-30(50)37(52)46-33(24(5)6)39(54)47-34(25(7)8)40(55)48-35(26(9)10)43(58)59-27(11)36(41(56)44-29)49-38(53)32(23(3)4)45-31(51)21-28-16-13-12-14-17-28/h12-14,16-17,22-27,29-30,32-36H,15,18-21H2,1-11H3,(H,44,56)(H,45,51)(H,46,52)(H,47,54)(H,48,55)(H,49,53)/t27-,29-,30+,32+,33+,34+,35+,36+/m1/s1
SMILES	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)C(C)C)C(C)C)C(C)C)CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC3=CC=CC=C3

ORIGINAL ISOLATION REFERENCE

CITATION	Zhou, Qiuqin; Dowling, Andrea; Heide, Heinrich; Wöhnert, Jens; Brandt, Ulrich; Baum, James; ffrench-Constant, Richard; Bode, Helge B. Xentrivalpeptides A-Q: Depsipeptide Diversification in Xenorhabdus Journal of Natural Products 2012 75 (10) 1717-1722.
DOI	10.1021/np300279g	PMID	23025386

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Gammaproteobacteria	LPSN	1236
Order	Enterobacterales	LPSN	91347
Family	Morganellaceae	LPSN	1903414
Genus	Xenorhabdus	LPSN	626

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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