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Compounds

COMPOUND NPA022043

STRUCTURE

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PROPERTIES

NPAID	NPA022043
CLUSTER ID	2974
NODE ID	2278
NAME	Emestrin I
FORMULA	C29H30N2O7S2
MOLECULAR WEIGHT (Da)	582.7000
ACCURATE MASS (Da)	582.1494
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Podospora
ORIGIN SPECIES	australis
InChIKey	DCDQBIQRLOCMAZ-OMICENBGSA-N
InChI	InChI=1S/C29H30N2O7S2/c1-30-26(34)29(40-4)16-20-17-37-13-12-23(38-25(33)19-10-11-22(36-2)21(32)14-19)24(20)31(29)27(35)28(30,39-3)15-18-8-6-5-7-9-18/h5-14,17,23-24,32H,15-16H2,1-4H3/t23-,24-,28+,29+/m0/s1
SMILES	CN1C(=O)[C@@]2(CC3=COC=C[C@@H]([C@H]3N2C(=O)[C@@]1(CC4=CC=CC=C4)SC)OC(=O)C5=CC(=C(C=C5)OC)O)SC

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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