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Compounds

COMPOUND NPA025620

STRUCTURE

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PROPERTIES

NPAID	NPA025620
CLUSTER ID	26
NODE ID	25
NAME	Caletasin
FORMULA	C35H47N5O6
MOLECULAR WEIGHT (Da)	633.7900
ACCURATE MASS (Da)	633.3526
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	sp. MEXU 27854
InChIKey	DECSOYHXYHUQNR-VFFRCKCKSA-N
InChI	InChI=1S/C35H47N5O6/c1-21(2)18-26-35(46)40-17-9-12-28(40)31(42)38-30(22(3)4)33(44)37-27(19-24-13-15-25(41)16-14-24)34(45)39(5)29(32(43)36-26)20-23-10-7-6-8-11-23/h6-8,10-11,13-16,21-22,26-30,41H,9,12,17-20H2,1-5H3,(H,36,43)(H,37,44)(H,38,42)/t26-,27-,28-,29-,30+/m0/s1
SMILES	CC(C)C[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]2CCCN2C1=O

ORIGINAL ISOLATION REFERENCE

CITATION	Aparicio-Cuevas, Manuel A.; González, María del Carmen; Raja, Huzefa A.; Rivero-Cruz, Isabel; Kurina, Steven J.; Burdette, Joanna E.; Oberlies, Nicholas H.; Figueroa, Mario Metabolites from the marine-facultative Aspergillus sp. MEXU 27854 and Gymnoascus hyalinosporus MEXU 29901 from Caleta Bay, Mexico Tetrahedron Letters 2019 60 (25) 1649-1652.
DOI	10.1016/j.tetlet.2019.05.037	PMID	-

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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