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Compounds

COMPOUND NPA013650

STRUCTURE

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PROPERTIES

NPAID	NPA013650
CLUSTER ID	26
NODE ID	25
NAME	Trichodepsipeptide A
FORMULA	C36H56N4O9
MOLECULAR WEIGHT (Da)	688.8630
ACCURATE MASS (Da)	688.4047
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Trichothecium
ORIGIN SPECIES	sp. (MSX 51320)
InChIKey	ITNSWMYMZKJXQE-WPMUBMLPSA-N
InChI	InChI=1S/C36H56N4O9/c1-20(2)15-25-31(42)39-27(19-41)35(46)49-30(23(7)8)36(47)48-29(17-22(5)6)33(44)38-26(18-24-13-11-10-12-14-24)34(45)40(9)28(16-21(3)4)32(43)37-25/h10-14,20-23,25-30,41H,15-19H2,1-9H3,(H,37,43)(H,38,44)(H,39,42)/t25-,26-,27-,28-,29-,30-/m0/s1
SMILES	CC(C)C[C@H]1C(=O)N[C@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1)CC(C)C)C)CC2=CC=CC=C2)CC(C)C)C(C)C)CO

ORIGINAL ISOLATION REFERENCE

CITATION	Sy-Cordero, Arlene A.; Graf, Tyler N.; Adcock, Audrey F.; Kroll, David J.; Shen, Qi; Swanson, Steven M.; Wani, Mansukh C.; Pearce, Cedric J.; Oberlies, Nicholas H. Cyclodepsipeptides, sesquiterpenoids, and other cytotoxic metabolites from the filamentous fungus Trichothecium sp. (MSX 51320) Journal of Natural Products 2011 74 (10) 2137-2142.
DOI	10.1021/np2004243	PMID	21978324

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Hypocreales	MycoBank	5125
Genus	Trichothecium	MycoBank	231006

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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