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Compounds

COMPOUND NPA002105

STRUCTURE

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PROPERTIES

NPAID	NPA002105
CLUSTER ID	543
NODE ID	485
NAME	Emestrin G
FORMULA	C27H22N2O10S
MOLECULAR WEIGHT (Da)	566.5440
ACCURATE MASS (Da)	566.0995
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Armillaria
ORIGIN SPECIES	tabescens (strain JNB-OZ344)
InChIKey	ANDDFPWMPITTPZ-YITDFDIYSA-N
InChI	InChI=1S/C27H22N2O10S/c1-28-24(34)27-22(32)14-11-37-8-7-17-20(14)29(27)25(35)26(28,40-27)21(31)12-3-5-15(30)18(9-12)38-19-10-13(23(33)39-17)4-6-16(19)36-2/h3-11,17,20-22,30-32H,1-2H3/t17-,20-,21-,22+,26+,27+/m0/s1
SMILES	CN1C(=O)[C@]23[C@@H](C4=COC=C[C@H]5[C@H]4N2C(=O)[C@]1(S3)[C@H](C6=CC(=C(C=C6)O)OC7=C(C=CC(=C7)C(=O)O5)OC)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Herath, H.M.T.Bandara; Jacob, Melissa; Wilson, A.Dan; Abbas, Hamed K.; Nanayakkara, N.P.Dhammika New secondary metabolites from bioactive extracts of the fungus Armillaria tabescens Natural Product Research 2013 27 (17) 1562-1568.
DOI	10.1080/14786419.2012.738206	PMID	23140424

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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