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Compounds

COMPOUND NPA018148

STRUCTURE

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PROPERTIES

NPAID	NPA018148
CLUSTER ID	5995
NODE ID	4202
NAME	Pestahivin
FORMULA	C52H82N8O8
MOLECULAR WEIGHT (Da)	947.2760
ACCURATE MASS (Da)	946.6256
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pestalotiopsis
ORIGIN SPECIES	sp.
InChIKey	JZGSPBVWRMFPMC-HGPNIOGMSA-N
InChI	InChI=1S/C52H82N8O8/c1-13-15-20-34(7)28-41-49(64)58(10)36(9)52(67)68-45(24-19-25-53)48(63)57-42(29-35(8)21-16-14-2)51(66)59(11)43(27-33(5)6)46(61)55-40(26-32(3)4)50(65)60(12)44(47(62)56-41)30-37-31-54-39-23-18-17-22-38(37)39/h17-18,22-23,31-36,40-45,54H,13-16,19-21,24,26-30H2,1-12H3,(H,55,61)(H,56,62)(H,57,63)/t34-,35-,36+,40+,41+,42+,43+,44+,45-/m1/s1
SMILES	CCCC[C@@H](C)C[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1)CCC#N)C)C)C[C@H](C)CCCC)CC2=CNC3=CC=CC=C32)C)CC(C)C)CC(C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Hommel, Ulrich; Weber, Hans-Peter; Oberer, Lukas; Naegeli, Hans Ulrich; Oberhauser, Berndt; Foster, Carolyn A. The 3D-structure of a natural inhibitor of cell adhesion molecule expression FEBS Letters 1996 379 (1) 69-73.
DOI	10.1016/0014-5793(95)01453-5	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Amphisphaeriales	MycoBank	-
Family	Sporocadaceae	MycoBank	1812776
Genus	Pestalotiopsis	MycoBank	37840

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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