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Compounds

COMPOUND NPA002477

STRUCTURE

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EXTERNAL LINKS

PROPERTIES

NPAID	NPA002477
CLUSTER ID	1463
NODE ID	1207
NAME	Berkedienoic acid
FORMULA	C11H16O3
MOLECULAR WEIGHT (Da)	196.2460
ACCURATE MASS (Da)	196.1099
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	rubrum
InChIKey	SSSYMZDZKBTBDM-PDTNFJSOSA-N
InChI	InChI=1S/C11H16O3/c1-3-5-7-10(12)8-9(6-4-2)11(13)14/h3,5-7,10,12H,1,4,8H2,2H3,(H,13,14)/b7-5+,9-6+
SMILES	CC/C=C(\CC(/C=C/C=C)O)/C(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Stierle, Andrea A.; Stierle, Donald B.; Girtsman, Teri Caspase-1 inhibitors from an extremophilic fungus that target specific leukemia cell lines Journal of Natural Products 2012 75 (3) 344-350.
DOI	10.1021/np200414c	PMID	22295871

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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