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Compounds

COMPOUND NPA007034

STRUCTURE

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PROPERTIES

NPAID	NPA007034
CLUSTER ID	3190
NODE ID	762
NAME	(3S)-3-acetoxyeremophil-1(2),7(11),9(10)-trien-8-one
FORMULA	C17H22O3
MOLECULAR WEIGHT (Da)	274.3600
ACCURATE MASS (Da)	274.1569
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	roqueforti DAOM 232127
InChIKey	FJZBAGIMAUDSAO-MZPVMMEZSA-N
InChI	InChI=1S/C17H22O3/c1-10(2)14-9-17(5)11(3)16(20-12(4)18)7-6-13(17)8-15(14)19/h6-8,11,16H,9H2,1-5H3/t11-,16-,17+/m0/s1
SMILES	C[C@H]1[C@H](C=CC2=CC(=O)C(=C(C)C)C[C@]12C)OC(=O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Sorensen, Dan; Raditsis, Annie; Trimble, Laird A.; Blackwell, Barbara A.; Sumarah, Mark W.; Miller, J. David Isolation and structure elucidation by LC-MS-SPE/NMR: PR toxin- and cuspidatol-related eremophilane sesquiterpenes from Penicillium roqueforti Journal of Natural Products 2007 70 (1) 121-123.
DOI	10.1021/np060454v	PMID	17253863

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	Penicillium	MycoBank	5073

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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