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Compounds

COMPOUND NPA011123

STRUCTURE

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PROPERTIES

NPAID	NPA011123
CLUSTER ID	26
NODE ID	25
NAME	Roquefortine E
FORMULA	C27H31N5O2
MOLECULAR WEIGHT (Da)	457.5780
ACCURATE MASS (Da)	457.2478
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Gymnoascus
ORIGIN SPECIES	reessii
InChIKey	YOEIOWQHMDDCDD-HJILTBFVSA-N
InChI	InChI=1S/C27H31N5O2/c1-7-25(3,4)21-18(28-15-29-21)13-19-23(34)32-20(22(33)30-19)14-27(26(5,6)8-2)16-11-9-10-12-17(16)31-24(27)32/h7-13,15,20,24,31H,1-2,14H2,3-6H3,(H,28,29)(H,30,33)/b19-13+/t20-,24-,27+/m0/s1
SMILES	CC(C)(C=C)C1=C(N=CN1)/C=C/2\C(=O)N3[C@@H](C[C@@]4([C@H]3NC5=CC=CC=C54)C(C)(C)C=C)C(=O)N2

ORIGINAL ISOLATION REFERENCE

CITATION	Clark, Ben; Capon, Robert J.; Lacey, Ernest; Tennant, Shaun; Gill, Jennifer H. Roquefortine E, a diketopiperazine from an Australian isolate of Gymnoascus reessii Journal of Natural Products 2005 68 (11) 1661-1664.
DOI	10.1021/np0503101	PMID	16309319

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Onygenales	MycoBank	33183
Family	Gymnoascaceae	MycoBank	37243
Genus	Gymnoascus	MycoBank	69889

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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