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Compounds

COMPOUND NPA015250

STRUCTURE

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PROPERTIES

NPAID	NPA015250
CLUSTER ID	200
NODE ID	187
NAME	Xenocoumacin 2
FORMULA	C21H30N2O6
MOLECULAR WEIGHT (Da)	406.4790
ACCURATE MASS (Da)	406.2104
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Xenorhabdus
ORIGIN SPECIES	nematophilus
InChIKey	GJFFPZMEAWWELD-UHFFFAOYSA-N
InChI	InChI=1S/C21H30N2O6/c1-11(2)9-14(23-20(27)19(26)18(25)13-6-4-8-22-13)16-10-12-5-3-7-15(24)17(12)21(28)29-16/h3,5,7,11,13-14,16,18-19,22,24-26H,4,6,8-10H2,1-2H3,(H,23,27)
SMILES	CC(C)CC(C1CC2=C(C(=CC=C2)O)C(=O)O1)NC(=O)C(C(C3CCCN3)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	McInerney BV; Taylor WC; Lacey MJ; Akhurst RJ; Gregson RP Biologically active metabolites from Xenorhabdus spp., Part 2. Benzopyran-1-one derivatives with gastroprotective activity. Journal of Natural Products 1991 54 (3) 785-795.
DOI	10.1021/np50075a006	PMID	1955881

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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