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Compounds

COMPOUND NPA022042

STRUCTURE

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PROJECT MOLECULE TO GLOBAL VIEW	See Global

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PROPERTIES

NPAID	NPA022042
CLUSTER ID	83
NODE ID	78
NAME	Emestrin H
FORMULA	C20H22N2O4S2
MOLECULAR WEIGHT (Da)	418.5400
ACCURATE MASS (Da)	418.1021
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Podospora
ORIGIN SPECIES	australis
InChIKey	QWIIIAQJVPBQHG-XAMWDVODSA-N
InChI	InChI=1S/C20H22N2O4S2/c1-27-19(10-13-6-4-3-5-7-13)18(25)22-16-14(12-26-9-8-15(16)23)11-20(22,28-2)17(24)21-19/h3-9,12,15-16,23H,10-11H2,1-2H3,(H,21,24)/t15-,16-,19+,20+/m0/s1
SMILES	CS[C@@]12CC3=COC=C[C@@H]([C@H]3N1C(=O)[C@@](NC2=O)(CC4=CC=CC=C4)SC)O

ORIGINAL ISOLATION REFERENCE

CITATION	Li, Yan; Yue, Qun; Krausert, Nicole M.; An, Zhiqiang; Gloer, James B.; Bills, Gerald F. Emestrins: Anti-Cryptococcus Epipolythiodioxopiperazines from Podospora australis Journal of Natural Products 2016 79 (9) 2357-2363.
DOI	10.1021/acs.jnatprod.6b00498	PMID	27557418

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Sordariales	MycoBank	5139
Family	Podosporaceae	MycoBank	2609812
Genus	Podospora	MycoBank	5144

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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