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Compounds

COMPOUND NPA006979

STRUCTURE

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PROPERTIES

NPAID	NPA006979
CLUSTER ID	3173
NODE ID	2415
NAME	Leporizine B
FORMULA	C25H25N3O8S2
MOLECULAR WEIGHT (Da)	559.6220
ACCURATE MASS (Da)	559.1083
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	sp.
InChIKey	WMJHFTLOTRXJGB-RHMOHGSJSA-N
InChI	InChI=1S/C25H25N3O8S2/c1-9-21(2,3)14-12(36-9)8-13-23(35,15(14)29)17(31)24-20(33)28-18-22(34,10-6-4-5-7-11(10)26-18)16(30)25(28,38-37-24)19(32)27(13)24/h4-7,9,13,16-18,26,30-31,34-35H,8H2,1-3H3/t9-,13?,16+,17+,18+,22?,23?,24+,25+/m1/s1
SMILES	C[C@@H]1C(C2=C(O1)CC3C(C2=O)([C@@H]([C@@]45N3C(=O)[C@]6([C@H](C7([C@H](N6C4=O)NC8=CC=CC=C87)O)O)SS5)O)O)(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Reategui, Ricardo; Rhea, Joshua; Adolphson, Janet; Waikins, Kathryn; Newell, Ryan; Rabenstein, John; Mocek, Ulla; Luche, Michele; Carr, Grant Leporizines A-C: Epithiodiketopiperazines isolated from an Aspergillus species Journal of Natural Products 2013 76 (9) 1523-1527.
DOI	10.1021/np300894y	PMID	24050204

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Eurotiales	MycoBank	5042
Family	Aspergillaceae	MycoBank	1131492
Genus	Aspergillus	MycoBank	5052

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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