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Compounds

COMPOUND NPA004220

STRUCTURE

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PROPERTIES

NPAID	NPA004220
CLUSTER ID	83
NODE ID	78
NAME	Exserohilone
FORMULA	C20H22N2O6S2
MOLECULAR WEIGHT (Da)	450.5380
ACCURATE MASS (Da)	450.0919
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Exserohilum
ORIGIN SPECIES	holmii
InChIKey	FWPMSYUTOOUASJ-DAOXCTMNSA-N
InChI	InChI=1S/C20H22N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h3-6,9-10,13-16,25-26H,7-8H2,1-2H3/t9-,10-,13+,14?,15+,16+,19-,20-/m0/s1
SMILES	CS[C@]12C[C@@H]3[C@@H](N1C(=O)[C@]4(C[C@@H]5[C@@H](N4C2=O)[C@@H](C=CC5=O)O)SC)C(C=CC3=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Sugawara, Koko; Sugawara, Fumio; Strobel, Gary A.; Fu, Yali; Cun-Heng, He; Clardy, Jon Exserohilone: A Novel Phytotoxin Produced by Exserohilum holmii Journal of Organic Chemistry 1985 50 (26) 5631-5633.
DOI	10.1021/jo00350a040	PMID	-

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	Pleosporaceae	MycoBank	28556
Genus	Exserohilum	MycoBank	91493

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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