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Compounds

COMPOUND NPA012130

STRUCTURE

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EXTERNAL LINKS

PROPERTIES

NPAID	NPA012130
CLUSTER ID	83
NODE ID	78
NAME	SCH-64874
FORMULA	C34H44N2O10S2
MOLECULAR WEIGHT (Da)	704.8640
ACCURATE MASS (Da)	704.2437
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Unknown-fungus
ORIGIN SPECIES	sp.
InChIKey	AHBMXBRWMGAQMZ-WDAIGYCPSA-N
InChI	InChI=1S/C34H44N2O10S2/c1-7-17(3)27(37)19(5)29(39)45-23-9-11-43-15-21-13-33-32(42)36-26-22(14-34(36,48-47-33)31(41)35(33)25(21)23)16-44-12-10-24(26)46-30(40)20(6)28(38)18(4)8-2/h9-12,15-20,23-28,37-38H,7-8,13-14H2,1-6H3/t17?,18?,19?,20?,23-,24?,25-,26-,27?,28?,33+,34+/m0/s1
SMILES	CCC(C)C(C(C)C(=O)O[C@H]1C=COC=C2[C@@H]1N3C(=O)[C@]45CC6=COC=CC([C@H]6N4C(=O)[C@@]3(C2)SS5)OC(=O)C(C)C(C(C)CC)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Hegde, Vinod R.; Dai, Ping; Patel, Mahesh; Das, Pradip R.; Puar, Mohindar S. Novel thiodiketopiperazine fungal metabolites as epidermal growth factor receptor antagonists Tetrahedron Letters 1997 38 (6) 911-914.
DOI	10.1016/s0040-4039(96)02457-4	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Genus	Unknown-fungus	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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