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Compounds

COMPOUND NPA015812

STRUCTURE

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PROPERTIES

NPAID	NPA015812
CLUSTER ID	5475
NODE ID	11
NAME	Ascomycone C
FORMULA	C16H16O7
MOLECULAR WEIGHT (Da)	320.2970
ACCURATE MASS (Da)	320.0896
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Unknown-bacterium
ORIGIN SPECIES	ascomycete
InChIKey	HPBXQUJGACOIQY-XFFZJAGNSA-N
InChI	InChI=1S/C16H16O7/c1-8(17)6-16(21)11(7-22-2)14(19)13-10(15(16)20)4-9(23-3)5-12(13)18/h4-5,7,18,21H,6H2,1-3H3/b11-7-
SMILES	CC(=O)CC1(/C(=C\OC)/C(=O)C2=C(C=C(C=C2C1=O)OC)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Opatz, Till; Kolshorn, Heinz; Thines, Eckhard; Anke, Heidrun Ascomycones A-C, Heptaketide Metabolites from an Unidentified Ascomycete Journal of Natural Products 2008 71 (11) 1973-1976.
DOI	10.1021/np800570w	PMID	18989977

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Genus	Unknown-bacterium	LPSN	-

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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