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Compounds

COMPOUND NPA011225

STRUCTURE

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PROPERTIES

NPAID	NPA011225
CLUSTER ID	4375
NODE ID	3216
NAME	Mycoediketopiperazine
FORMULA	C20H22N2O6S2
MOLECULAR WEIGHT (Da)	450.5380
ACCURATE MASS (Da)	450.0919
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Papularia
ORIGIN SPECIES	sp. M-204036
InChIKey	OEIROMRXQGXKHD-QMRLQHLMSA-N
InChI	InChI=1S/C20H22N2O6S2/c1-29-19-5-7-3-9(23)13-15(27-13)11(7)21(19)18(26)20(30-2)6-8-4-10(24)14-16(28-14)12(8)22(20)17(19)25/h3-4,9-16,23-24H,5-6H2,1-2H3/t9-,10-,11-,12-,13-,14-,15+,16+,19+,20+/m0/s1
SMILES	CS[C@@]12CC3=C[C@@H]([C@H]4[C@@H]([C@H]3N1C(=O)[C@@]5(CC6=C[C@@H]([C@H]7[C@@H]([C@H]6N5C2=O)O7)O)SC)O4)O

ORIGINAL ISOLATION REFERENCE

CITATION	Fang, Meijuan; Fang, Hua; Huang, Yaojian; Zhao, Yufen Mycoediketopiperazine, a novel fungal metabolite from a Papularia sp Tetrahedron Letters 2005 46 (12) 2147-2148.
DOI	10.1016/j.tetlet.2005.01.140	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Xylariales	MycoBank	37989
Family	Apiosporaceae	MycoBank	106263
Genus	Papularia	MycoBank	-

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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