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Compounds

COMPOUND NPA016019

STRUCTURE

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PROPERTIES

NPAID	NPA016019
CLUSTER ID	260
NODE ID	237
NAME	Chaetocochin C
FORMULA	C33H36N6O6S4
MOLECULAR WEIGHT (Da)	740.9550
ACCURATE MASS (Da)	740.1579
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Chaetomium
ORIGIN SPECIES	cochliodes
InChIKey	DNXUJPNYOCDWFN-ZIBPZDQUSA-N
InChI	InChI=1S/C33H36N6O6S4/c1-35-27(44)32(17-40,47-5)36(2)25(42)30(35,46-4)14-19-15-38(23-13-9-6-10-20(19)23)29-16-31-26(43)37(3)33(18-41,49-48-31)28(45)39(31)24(29)34-22-12-8-7-11-21(22)29/h6-13,15,24,34,40-41H,14,16-18H2,1-5H3/t24-,29+,30+,31+,32+,33+/m1/s1
SMILES	CN1C(=O)[C@](N(C(=O)[C@]1(CC2=CN(C3=CC=CC=C32)[C@]45C[C@]67C(=O)N([C@](C(=O)N6[C@H]4NC8=CC=CC=C58)(SS7)CO)C)SC)C)(CO)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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