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Compounds

COMPOUND NPA002573

STRUCTURE

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PROPERTIES

NPAID	NPA002573
CLUSTER ID	1521
NODE ID	237
NAME	Chaetocochin A
FORMULA	C36H42N6O6S4
MOLECULAR WEIGHT (Da)	783.0360
ACCURATE MASS (Da)	782.2049
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Chaetomium
ORIGIN SPECIES	cochliodes
InChIKey	DOTYKRRRMXXIPL-ISYIGULMSA-N
InChI	InChI=1S/C36H42N6O6S4/c1-37-30(46)36(52-7)20-48-21-40-26-15-11-9-13-24(26)32(18-34(50-5)29(45)38(2)35(19-43,51-6)31(47)42(34)27(32)40)41-17-22(23-12-8-10-14-25(23)41)16-33(37,49-4)28(44)39(36)3/h8-15,17,27,43H,16,18-21H2,1-7H3/t27-,32+,33+,34+,35+,36+/m1/s1
SMILES	CN1C(=O)[C@]2(COCN3[C@H]4[C@](C[C@]5(N4C(=O)[C@](N(C5=O)C)(CO)SC)SC)(C6=CC=CC=C63)N7C=C(C[C@@]1(C(=O)N2C)SC)C8=CC=CC=C87)SC

ORIGINAL ISOLATION REFERENCE

CITATION	Li, Guo-You; Li, Bo-Gang; Yang, Tao; Yan, Ju-Fang; Liu, Guang-Ye; Zhang, Guo-Lin Chaetocochins A-C, epipolythiodioxopiperazines from Chaetomium cochliodes Journal of Natural Products 2006 69 (9) 1374-1376.
DOI	10.1021/np0602970	PMID	16989540

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Sordariales	MycoBank	5139
Family	Chaetomiaceae	MycoBank	35718
Genus	Chaetomium	MycoBank	5149

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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