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Compounds

COMPOUND NPA006023

STRUCTURE

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PROPERTIES

NPAID	NPA006023
CLUSTER ID	863
NODE ID	747
NAME	Melleolide Q
FORMULA	C23H31ClO7
MOLECULAR WEIGHT (Da)	454.9470
ACCURATE MASS (Da)	454.1758
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Armillaria
ORIGIN SPECIES	mellea
InChIKey	DEMXZQWBLZZLIK-NROMFKPGSA-N
InChI	InChI=1S/C23H31ClO7/c1-10-17(14(26)5-15(27)18(10)24)20(29)31-16-8-22(4)12-7-21(2,3)6-11(12)19(28)13(9-25)23(16,22)30/h5,11-13,16,19,25-28,30H,6-9H2,1-4H3/t11-,12+,13-,16-,19+,22-,23+/m1/s1
SMILES	CC1=C(C(=CC(=C1Cl)O)O)C(=O)O[C@@H]2C[C@]3([C@@]2([C@@H]([C@H]([C@H]4[C@@H]3CC(C4)(C)C)O)CO)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Chen, Chien-Chih; Kuo, Yueh-Hsiung; Cheng, Jing-Jy; Sung, Ping-Jyun; Ni, Ching-Li; Chen, Chin-Chu; Shen, Chien-Chang Three new sesquiterpene aryl esters from the mycelium of armillaria mellea Molecules 2015 20 (6) 9994-10003.
DOI	10.3390/molecules20069994	PMID	26035099

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Basidiomycota	MycoBank	5204
Class	Agaricomycetes	MycoBank	155619
Order	Agaricales	MycoBank	5338
Family	Physalacriaceae	MycoBank	862241
Genus	Armillaria	MycoBank	47424

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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