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Compounds

COMPOUND NPA017514

STRUCTURE

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PROPERTIES

NPAID	NPA017514
CLUSTER ID	83
NODE ID	78
NAME	Epicoccin S
FORMULA	C20H22N2O7S3
MOLECULAR WEIGHT (Da)	498.6040
ACCURATE MASS (Da)	498.0589
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Epicoccum
ORIGIN SPECIES	nigrum
InChIKey	CTXSGNLLULNYBQ-IPDYFERDSA-N
InChI	InChI=1S/C20H22N2O7S3/c1-2-29-15-14(26)11-7-5-19(30-16(15)12(7)24)17(27)22-10-6-4-20(22,18(28)21(11)19)32-31-9(13(10)25)3-8(6)23/h6-7,9-11,13-16,25-26H,2-5H2,1H3/t6-,7+,9+,10-,11-,13-,14+,15+,16+,19+,20+/m0/s1
SMILES	CCO[C@@H]1[C@@H]([C@@H]2[C@H]3C[C@@]4(N2C(=O)[C@]56C[C@@H]7[C@H](N5C4=O)[C@H]([C@@H](CC7=O)SS6)O)S[C@@H]1C3=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Wang, Jia-Ming; Ding, Guang-Zhi; Fang, Lei; Dai, Jun-Gui; Yu, Shi-Shan; Wang, Ying-Hong; Chen, Xiao-Guang; Ma, Shuang-Gang; Qu, Jing; Xu, Song; Du, Dan Thiodiketopiperazines Produced by the Endophytic Fungus Epicoccum nigrum Journal of Natural Products 2010 73 (7) 1240-1249.
DOI	10.1021/np1000895	PMID	20550196

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Dothideomycetes	MycoBank	147541
Order	Pleosporales	MycoBank	92860
Family	Didymellaceae	MycoBank	683158
Genus	Epicoccum	MycoBank	104397

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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