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Compounds

COMPOUND NPA018659

STRUCTURE

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PROPERTIES

NPAID	NPA018659
CLUSTER ID	3173
NODE ID	2415
NAME	Leporizine C
FORMULA	C27H31N3O8S2
MOLECULAR WEIGHT (Da)	589.6920
ACCURATE MASS (Da)	589.1553
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	sp.
InChIKey	UVKZABJPNZLAII-GJLGOLQDSA-N
InChI	InChI=1S/C27H31N3O8S2/c1-11-23(2,3)16-14(38-11)10-15-25(37,17(16)31)19(33)26(39-4)22(35)30-20-24(36,12-8-6-7-9-13(12)28-20)18(32)27(30,40-5)21(34)29(15)26/h6-9,11,15,18-20,28,32-33,36-37H,10H2,1-5H3/t11-,15?,18+,19+,20+,24?,25?,26+,27+/m0/s1
SMILES	C[C@H]1C(C2=C(O1)CC3C(C2=O)([C@H]([C@@]4(N3C(=O)[C@@]5([C@@H](C6([C@@H](N5C4=O)NC7=CC=CC=C76)O)O)SC)SC)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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