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Compounds

COMPOUND NPA033093

STRUCTURE

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PROPERTIES

NPAID	NPA033093
CLUSTER ID	34
NODE ID	33
NAME	Butanochelin
FORMULA	C18H20N2O6
MOLECULAR WEIGHT (Da)	360.3660
ACCURATE MASS (Da)	360.1321
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Acinetobacter
ORIGIN SPECIES	bouvetii DSM 14964
InChIKey	FBRVRHJYPWFVCL-UHFFFAOYSA-N
InChI	InChI=1S/C18H20N2O6/c21-13-7-3-5-11(15(13)23)17(25)19-9-1-2-10-20-18(26)12-6-4-8-14(22)16(12)24/h3-8,21-24H,1-2,9-10H2,(H,19,25)(H,20,26)
SMILES	O=C(NCCCCNC(=O)C1=C(O)C(O)=CC=C1)C1=C(O)C(O)=CC=C1

ORIGINAL ISOLATION REFERENCE

CITATION	Reitz, Zachary L.; Butler, Alison Precursor-directed biosynthesis of catechol compounds in Acinetobacter bouvetii DSM 14964 Chemical Communications 2020 56 (81) 12222-12225.
DOI	10.1039/d0cc04171h	PMID	32926028

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Gammaproteobacteria	LPSN	1236
Order	Pseudomonadales	LPSN	72274
Family	Moraxellaceae	LPSN	468
Genus	Acinetobacter	LPSN	469

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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