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Compounds

COMPOUND NPA020163

STRUCTURE

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PROPERTIES

NPAID	NPA020163
CLUSTER ID	57
NODE ID	53
NAME	Phomachalasin B
FORMULA	C38H46N2O8
MOLECULAR WEIGHT (Da)	658.7920
ACCURATE MASS (Da)	658.3254
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Phoma
ORIGIN SPECIES	exigua
InChIKey	QXENAONMUSFVCF-XJUAVTJKSA-N
InChI	InChI=1S/C38H46N2O8/c1-19-10-8-14-24-31(43)21(3)20(2)29-25(18-22-12-6-5-7-13-22)40-36(47)37(24,29)27(42)17-16-23-28(26(41)15-9-11-19)33(48-4)30-32(44)34(45)38(23,30)35(39)46/h5-8,12-14,16-17,19-20,24-25,29-34,43-45H,3,9-11,15,18H2,1-2,4H3,(H2,39,46)(H,40,47)/b14-8+,17-16-/t19-,20+,24?,25-,29?,30?,31+,32?,33?,34?,37+,38?/m0/s1
SMILES	C[C@@H]1CCCC(=O)C2=C(/C=C\C(=O)[C@]34C(/C=C/C1)[C@@H](C(=C)[C@H](C3[C@@H](NC4=O)CC5=CC=CC=C5)C)O)C6(C(C2OC)C(C6O)O)C(=O)N

ORIGINAL ISOLATION REFERENCE

CITATION	Evidente, Antonio; Cimmino, Alessio; Andolfi, Anna; Berestetskiy, Alexander; Motta, Andrea Phomachalasins A-D, 26-oxa[16] and [15]cytochalasans produced by phoma exigua var. exigua, a potential mycoherbicide for Cirsium arvense biocontrol Tetrahedron 2011 67 (8) 1557-1563.
DOI	10.1016/j.tet.2010.12.058	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Dothideomycetes	MycoBank	147541
Order	Pleosporales	MycoBank	92860
Genus	Phoma	MycoBank	37463

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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