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Compounds

COMPOUND NPA032250

STRUCTURE

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PROPERTIES

NPAID	NPA032250
CLUSTER ID	1560
NODE ID	1280
NAME	Ustethylin A
FORMULA	C11H14O5
MOLECULAR WEIGHT (Da)	226.2280
ACCURATE MASS (Da)	226.0841
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	ustus
InChIKey	IBCVKWTVTFWXRD-UHFFFAOYSA-N
InChI	InChI=1S/C11H14O5/c1-16-10-4-7(2-3-12)8(5-13)11(15)9(10)6-14/h4-5,12,14-15H,2-3,6H2,1H3
SMILES	COC1=C(CO)C(O)=C(C=O)C(CCO)=C1

ORIGINAL ISOLATION REFERENCE

CITATION	Fan, Aili; Li, Shu-Ming; Wang, Haowen; Yang, Yiling; Zhang, Liping; Zheng, Liujuan Ustethylin Biosynthesis Implies Phenethyl Derivative Formation in Aspergillus ustus Organic Letters 2020 22 (20) 7837-7841.
DOI	10.1021/acs.orglett.0c02719	PMID	33006285

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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