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Compounds

COMPOUND NPA028057

STRUCTURE

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PROPERTIES

NPAID	NPA028057
CLUSTER ID	118
NODE ID	112
NAME	Isobutyl heptanoate
FORMULA	C11H22O2
MOLECULAR WEIGHT (Da)	186.2950
ACCURATE MASS (Da)	186.1620
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	clavatus NRRL 1
InChIKey	HXJOYVPESRRCDB-UHFFFAOYSA-N
InChI	InChI=1S/C11H22O2/c1-4-5-6-7-8-11(12)13-9-10(2)3/h10H,4-9H2,1-3H3
SMILES	CCCCCCC(=O)OCC(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Brock, Nelson L.; Celik, Ersin; Dickschat, Jeroen S. Volatiles from three genome sequenced fungi from the genus Aspergillus Beilstein Journal of Organic Chemistry 2018 14 900-910.
DOI	10.3762/BJOC.14.77	PMID	29765471

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Eurotiales	MycoBank	5042
Family	Aspergillaceae	MycoBank	1131492
Genus	Aspergillus	MycoBank	5052

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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