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Compounds

COMPOUND NPA000023

STRUCTURE

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PROPERTIES

NPAID	NPA000023
CLUSTER ID	22
NODE ID	21
NAME	3R-(+)-5-O-[6'-O-acetyl]-α-D-glucopyranosyl-5-hydroxymellein
FORMULA	C18H22O10
MOLECULAR WEIGHT (Da)	398.3640
ACCURATE MASS (Da)	398.1213
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Xylaria
ORIGIN SPECIES	sp. cfcc 87468
InChIKey	WMCJBKAMWFRRDO-PQJUGTJMSA-N
InChI	InChI=1S/C18H22O10/c1-7-5-9-11(4-3-10(20)13(9)17(24)26-7)27-18-16(23)15(22)14(21)12(28-18)6-25-8(2)19/h3-4,7,12,14-16,18,20-23H,5-6H2,1-2H3/t7-,12-,14-,15+,16-,18+/m1/s1
SMILES	C[C@@H]1CC2=C(C=CC(=C2C(=O)O1)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Wang, Fuqian; Han, Shishi; Hu, Song; Xue, Yongbo; Wang, Jianping; Xu, Hongfeng; Chen, Lu; Zhang, Geng; Zhang, Yonghui Two new secondary metabolites from xylaria sp. cfcc 87468 Molecules 2014 19 (1) 1250-1257.
DOI	10.3390/molecules19011250	PMID	24448065

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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