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Compounds

COMPOUND NPA015359

STRUCTURE

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PROPERTIES

NPAID	NPA015359
CLUSTER ID	572
NODE ID	326
NAME	(4S)-(+)-Ascochin
FORMULA	C12H10O5
MOLECULAR WEIGHT (Da)	234.2070
ACCURATE MASS (Da)	234.0528
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Ascochyta
ORIGIN SPECIES	sp. strain 6651
InChIKey	XLKIJHXPWYIGIM-RXMQYKEDSA-N
InChI	InChI=1S/C12H10O5/c1-5-6(2)17-12(16)11-9(15)3-8(14)7(4-13)10(5)11/h3-5,14-15H,2H2,1H3/t5-/m1/s1
SMILES	C[C@@H]1C(=C)OC(=O)C2=C1C(=C(C=C2O)O)C=O

ORIGINAL ISOLATION REFERENCE

CITATION	Krohn, Karsten; Kock, Ines; Elsässer, Brigitta; Flörke, Ulrich; Schulz, Barbara; Draeger, Siegfried; Pescitelli, Gennaro; Antus, Sándor; Kurtán, Tibor Bioactive Natural Products from the Endophytic Fungus Ascochyta sp. from Meliotus dentatus-Configurational Assignment by Solid-State CD and TDDFT Calculations European Journal of Organic Chemistry 2007 2007 (7) 1123-1129.
DOI	10.1002/ejoc.200600907	PMID	25855820

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Dothideomycetes	MycoBank	147541
Order	Pleosporales	MycoBank	92860
Genus	Ascochyta	MycoBank	5453

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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