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Compounds

COMPOUND NPA021908

STRUCTURE

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PROPERTIES

NPAID	NPA021908
CLUSTER ID	873
NODE ID	755
NAME	Outovirin C
FORMULA	C21H24N2O9S3
MOLECULAR WEIGHT (Da)	544.6290
ACCURATE MASS (Da)	544.0644
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	raciborskii
InChIKey	SFLUCAHJUSGTFH-BFBGDVCSSA-N
InChI	InChI=1S/C21H24N2O9S3/c1-22-13-16(9-4-6-11(30-2)15(31-3)14(9)26)33-35-34-21(19(22)28)8-20(29)12(25)7-5-10(24)17(20)32-23(21)18(13)27/h4-7,10,12-13,16-17,24-26,29H,8H2,1-3H3/t10-,12-,13-,16-,17+,20+,21-/m1/s1
SMILES	CN1[C@@H]2[C@H](SSS[C@@]3(C1=O)C[C@@]4([C@@H](C=C[C@H]([C@@H]4ON3C2=O)O)O)O)C5=C(C(=C(C=C5)OC)OC)O

ORIGINAL ISOLATION REFERENCE

CITATION	Kajula, Marena; Ward, Joshua M.; Turpeinen, Ari; Tejesvi, Mysore V.; Hokkanen, Juho; Tolonen, Ari; Häkkänen, Heikki; Picart, Pere; Ihalainen, Janne; Sahl, Hans-Georg; Pirttilä, Anna Maria; Mattila, Sampo Bridged Epipolythiodiketopiperazines from Penicillium raciborskii, an Endophytic Fungus of Rhododendron tomentosum Harmaja Journal of Natural Products 2016 79 (4) 685-690.
DOI	10.1021/np500822k	PMID	27057690

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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