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Compounds

COMPOUND NPA008063

STRUCTURE

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PROPERTIES

NPAID	NPA008063
CLUSTER ID	1796
NODE ID	1455
NAME	Dihydroaspirone
FORMULA	C9H14O4
MOLECULAR WEIGHT (Da)	186.2070
ACCURATE MASS (Da)	186.0892
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Unknown-fungus
ORIGIN SPECIES	sp.
InChIKey	QURYMMSJKKNQFX-BBVRLYRLSA-N
InChI	InChI=1S/C9H14O4/c1-5(10)3-7-4-8(11)6(2)13-9(7)12/h4-6,8,10-11H,3H2,1-2H3/t5-,6+,8-/m0/s1
SMILES	C[C@@H]1[C@H](C=C(C(=O)O1)C[C@H](C)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Fuchser, Jens; Zeeck, Axel Secondary Metabolites by Chemical Screening, 34. - Aspinolides and Aspinonene/Aspyrone Co-Metabolites, New Pentaketides Produced byAspergillus ochraceus Liebigs Annalen der Chemie 1997 1997 (1) 87-95.
DOI	10.1002/jlac.199719970114	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Genus	Unknown-fungus	MycoBank	-

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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