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Compounds

COMPOUND NPA016616

STRUCTURE

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PROPERTIES

NPAID	NPA016616
CLUSTER ID	83
NODE ID	78
NAME	Rostratin D
FORMULA	C18H20N2O6S4
MOLECULAR WEIGHT (Da)	488.6340
ACCURATE MASS (Da)	488.0204
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Exserohilum
ORIGIN SPECIES	rostratum
InChIKey	GCSPJPVOPHGWRM-XPMVLQEKSA-N
InChI	InChI=1S/C18H20N2O6S4/c21-7-1-9(27)13(23)11-5(7)3-17-15(25)20-12-6(8(22)2-10(28)14(12)24)4-18(20,30-29-17)16(26)19(11)17/h5-6,9-14,23-24,27-28H,1-4H2/t5-,6-,9-,10-,11-,12-,13+,14+,17-,18-/m1/s1
SMILES	C1[C@H]([C@@H]([C@H]2[C@@H](C1=O)C[C@]34N2C(=O)[C@@]5(C[C@H]6[C@@H](N5C3=O)[C@H]([C@@H](CC6=O)S)O)SS4)O)S

ORIGINAL ISOLATION REFERENCE

CITATION	Tan, Ren Xiang; Jensen, Paul R.; Williams, Philip G.; Fenical, William Isolation and structure assignments of rostratins A-D, cytotoxic disulfides produced by the marine-derived fungus Exserohilum rostratum Journal of Natural Products 2004 67 (8) 1374-1382.
DOI	10.1021/np049920b	PMID	15332857

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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