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Compounds

COMPOUND NPA000529

STRUCTURE

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PROPERTIES

NPAID	NPA000529
CLUSTER ID	404
NODE ID	363
NAME	Xyloketal C
FORMULA	C20H26O4
MOLECULAR WEIGHT (Da)	330.4240
ACCURATE MASS (Da)	330.1831
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Xylaria
ORIGIN SPECIES	sp. (no. 2508)
InChIKey	GKWTWWJVLKOABN-XZRFTHSASA-N
InChI	InChI=1S/C20H26O4/c1-11-9-21-19(3)15(11)6-13-5-14-7-16-12(2)10-22-20(16,4)24-18(14)8-17(13)23-19/h5,8,11-12,15-16H,6-7,9-10H2,1-4H3/t11-,12-,15+,16+,19+,20+/m0/s1
SMILES	C[C@H]1CO[C@]2([C@@H]1CC3=CC4=C(C=C3O2)O[C@@]5([C@H](C4)[C@H](CO5)C)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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