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Compounds

COMPOUND NPA012535

STRUCTURE

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PROPERTIES

NPAID	NPA012535
CLUSTER ID	765
NODE ID	665
NAME	Circumdatin E
FORMULA	C20H17N3O4
MOLECULAR WEIGHT (Da)	363.3730
ACCURATE MASS (Da)	363.1219
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	ochraceus
InChIKey	JIIDXCQQSWFYCR-HNNXBMFYSA-N
InChI	InChI=1S/C20H17N3O4/c1-27-11-9-13-17(16(24)10-11)21-18-15-7-4-8-22(15)19(25)12-5-2-3-6-14(12)23(18)20(13)26/h2-3,5-6,9-10,15,24H,4,7-8H2,1H3/t15-/m0/s1
SMILES	COC1=CC(=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)N5CCC[C@H]5C3=N2)O

ORIGINAL ISOLATION REFERENCE

CITATION	Rahbaek, Lisa; Breinholt, Jens Circumdatins D, E, and F: Further fungal benzodiazepine analogues from Aspergillus ochraceus Journal of Natural Products 1999 62 (6) 904-905.
DOI	10.1021/np980495u	PMID	10395516

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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