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Compounds

COMPOUND NPA017026

STRUCTURE

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PROPERTIES

NPAID	NPA017026
CLUSTER ID	1089
NODE ID	938
NAME	3,7-dimethyl-8-hydroxy-6-methoxyisochroman
FORMULA	C12H16O3
MOLECULAR WEIGHT (Da)	208.2570
ACCURATE MASS (Da)	208.1099
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	steckii
InChIKey	OQMJILQCXYKZEM-UHFFFAOYSA-N
InChI	InChI=1S/C12H16O3/c1-7-4-9-5-11(14-3)8(2)12(13)10(9)6-15-7/h5,7,13H,4,6H2,1-3H3
SMILES	CC1CC2=CC(=C(C(=C2CO1)O)C)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Cox, R H; Hernandez, O; Dorner, J W; Cole, R J; Fennell, D I A new isochroman mycotoxin isolated from Penicillium steckii Journal of Agricultural and Food Chemistry 1979 27 (5) 999.
DOI	10.1021/jf60225a012	PMID	546963

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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