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Compounds

COMPOUND NPA004550

STRUCTURE

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PROPERTIES

NPAID	NPA004550
CLUSTER ID	1521
NODE ID	237
NAME	Chaetocochin B
FORMULA	C34H36N6O6S4
MOLECULAR WEIGHT (Da)	752.9660
ACCURATE MASS (Da)	752.1579
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Chaetomium
ORIGIN SPECIES	cochliodes
InChIKey	RSFRRLFLAIGXJQ-UCBAHZDZSA-N
InChI	InChI=1S/C34H36N6O6S4/c1-35-28(44)34(48-5)18-46-19-38-24-13-9-7-11-22(24)30(16-32-27(43)36(2)33(17-41,50-49-32)29(45)40(32)25(30)38)39-15-20(21-10-6-8-12-23(21)39)14-31(35,47-4)26(42)37(34)3/h6-13,15,25,41H,14,16-19H2,1-5H3/t25-,30+,31+,32+,33+,34+/m1/s1
SMILES	CN1C(=O)[C@]2(COCN3[C@H]4[C@](C[C@@]56N4C(=O)[C@@](N(C5=O)C)(SS6)CO)(C7=CC=CC=C73)N8C=C(C[C@@]1(C(=O)N2C)SC)C9=CC=CC=C98)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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