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Compounds

COMPOUND NPA014949

STRUCTURE

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PROPERTIES

NPAID	NPA014949
CLUSTER ID	26
NODE ID	25
NAME	Chaiyaphumine C
FORMULA	C35H42N6O7
MOLECULAR WEIGHT (Da)	658.7560
ACCURATE MASS (Da)	658.3115
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Xenorhabdus
ORIGIN SPECIES	sp. PB61
InChIKey	QSPXSYVWKDXNNL-DXMRSHBNSA-N
InChI	InChI=1S/C35H42N6O7/c1-4-29(42)40-30-21(3)48-35(47)27(18-23-19-36-25-14-9-8-13-24(23)25)39-32(44)28-15-10-16-41(28)34(46)20(2)37-31(43)26(38-33(30)45)17-22-11-6-5-7-12-22/h5-9,11-14,19-21,26-28,30,36H,4,10,15-18H2,1-3H3,(H,37,43)(H,38,45)(H,39,44)(H,40,42)/t20-,21-,26-,27+,28+,30+/m1/s1
SMILES	CCC(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@H](NC1=O)CC3=CC=CC=C3)C)CC4=CNC5=CC=CC=C54)C

ORIGINAL ISOLATION REFERENCE

CITATION	Grundmann, Florian; Kaiser, Marcel; Schiell, Matthias; Batzer, Andreas; Kurz, Michael; Thanwisai, Aunchalee; Chantratita, Narisara; Bode, Helge B. Antiparasitic chaiyaphumines from entomopathogenic Xenorhabdus sp. PB61.4 Journal of Natural Products 2014 77 (4) 779-783.
DOI	10.1021/np4007525	PMID	24673206

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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