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Compounds

COMPOUND NPA018799

STRUCTURE

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PROPERTIES

NPAID	NPA018799
CLUSTER ID	26
NODE ID	25
NAME	Pseudoxylallemycin B
FORMULA	C40H52N4O6
MOLECULAR WEIGHT (Da)	684.8780
ACCURATE MASS (Da)	684.3887
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pseudoxylaria
ORIGIN SPECIES	sp. X802
InChIKey	QWMKZQLCKVCIIN-ZYADHFCISA-N
InChI	InChI=1S/C40H52N4O6/c1-9-11-21-49-31-17-13-29(14-18-31)25-33-39(47)43(7)36(24-28(5)6)38(46)42-34(26-30-15-19-32(20-16-30)50-22-12-10-2)40(48)44(8)35(23-27(3)4)37(45)41-33/h11-20,27-28,33-36H,1-2,21-26H2,3-8H3,(H,41,45)(H,42,46)/t33-,34-,35-,36-/m0/s1
SMILES	CC(C)C[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OCC=C=C)CC(C)C)C)CC3=CC=C(C=C3)OCC=C=C

ORIGINAL ISOLATION REFERENCE

CITATION	Guo, Huijuan; Kreuzenbeck, Nina B.; Otani, Saria; Garcia-Altares, Maria; Dahse, Hans-Martin; Weigel, Christiane; Aanen, Duur K.; Hertweck, Christian; Poulsen, Michael; Beemelmanns, Christine Pseudoxylallemycins A-F, Cyclic Tetrapeptides with Rare Allenyl Modifications Isolated from Pseudoxylaria sp. X802: A Competitor of Fungus-Growing Termite Cultivars Organic Letters 2016 18 (14) 3338-3341.
DOI	10.1021/acs.orglett.6b01437	PMID	27341414

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Xylariales	MycoBank	37989
Family	Xylariaceae	MycoBank	37990
Genus	Pseudoxylaria	MycoBank	-

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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