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Compounds

COMPOUND NPA001742

STRUCTURE

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PROPERTIES

NPAID	NPA001742
CLUSTER ID	1108
NODE ID	363
NAME	Xyloketal E
FORMULA	C26H36O6
MOLECULAR WEIGHT (Da)	444.5680
ACCURATE MASS (Da)	444.2512
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Xylaria
ORIGIN SPECIES	sp. (no. 2508)
InChIKey	ZNYRREFJIKRTIT-LJJJLYAGSA-N
InChI	InChI=1S/C26H36O6/c1-13-9-24(4,28-10-13)20-21(27)16-7-18-14(2)11-29-25(18,5)31-22(16)17-8-19-15(3)12-30-26(19,6)32-23(17)20/h13-15,18-19,27H,7-12H2,1-6H3/t13-,14+,15+,18-,19-,24-,25-,26-/m1/s1
SMILES	C[C@@H]1C[C@](OC1)(C)C2=C3C(=C4C(=C2O)C[C@@H]5[C@H](CO[C@@]5(O4)C)C)C[C@@H]6[C@H](CO[C@@]6(O3)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Lin; Wu; Feng; Jiang; Luo; Zhou; Vrijmoed; Jones; Krohn; Steingroever; Zsila Five unique compounds: Xyloketals from mangrove fungus Xylaria sp. from the South China Sea coast Journal of Organic Chemistry 2001 66 (19) 6252-6256.
DOI	10.1021/jo015522r	PMID	11559170

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	Xylaria	MycoBank	37991

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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