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Compounds

COMPOUND NPA021800

STRUCTURE

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PROPERTIES

NPAID	NPA021800
CLUSTER ID	118
NODE ID	112
NAME	Asperitaconic acid A
FORMULA	C12H20O5
MOLECULAR WEIGHT (Da)	244.2870
ACCURATE MASS (Da)	244.1311
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	niger
InChIKey	CPKOINXTFBNYMW-JTQLQIEISA-N
InChI	InChI=1S/C12H20O5/c1-9(11(14)15)10(12(16)17-2)7-5-3-4-6-8-13/h10,13H,1,3-8H2,2H3,(H,14,15)/t10-/m0/s1
SMILES	COC(=O)[C@@H](CCCCCCO)C(=C)C(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Ding, Lijian; Li, Te; Liao, Xiaojian; He, Shan; Xu, Shihai Asperitaconic acids A–C, antibacterial itaconic acid derivatives produced by a marine-derived fungus of the genus Aspergillus Journal of Antibiotics 2018 71 (10) 902-904.
DOI	10.1038/s41429-018-0079-2	PMID	29973682

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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