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Compounds

COMPOUND NPA002032

STRUCTURE

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PROPERTIES

NPAID	NPA002032
CLUSTER ID	279
NODE ID	253
NAME	T988 A
FORMULA	C23H20N4O4S3
MOLECULAR WEIGHT (Da)	512.6380
ACCURATE MASS (Da)	512.0647
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Tilachlidium
ORIGIN SPECIES	sp.
InChIKey	LNPYPYPXOCKQQO-PHXJMUFTSA-N
InChI	InChI=1S/C23H20N4O4S3/c1-26-20(31)23-17(29)22(14-10-24-15-8-4-2-6-12(14)15)13-7-3-5-9-16(13)25-18(22)27(23)19(30)21(26,11-28)32-34-33-23/h2-10,17-18,24-25,28-29H,11H2,1H3/t17-,18+,21-,22+,23-/m0/s1
SMILES	CN1C(=O)[C@@]23[C@H]([C@]4([C@@H](N2C(=O)[C@@]1(SSS3)CO)NC5=CC=CC=C54)C6=CNC7=CC=CC=C76)O

ORIGINAL ISOLATION REFERENCE

CITATION	Feng, Yunjiang; Blunt, John W.; Cole, Anthony L. J.; Munro, Murray H. G. Novel cytotoxic thiodiketopiperazine derivatives from a Tilachlidium sp Journal of Natural Products 2004 67 (12) 2090-2092.
DOI	10.1021/np030326w	PMID	15620259

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Hypocreales	MycoBank	5125
Family	Tilachlidiaceae	MycoBank	1634953
Genus	Tilachlidium	MycoBank	150389

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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