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CHEBI:153572 - β-isosalicin

ChEBI IDCHEBI:153572
ChEBI Nameβ-isosalicin
Stars
ASCII Namebeta-isosalicin
DefinitionA β-D-glucoside that is β-D-glucopyranose in which the hydroxy group at position 1R is substituted by a (2-hydroxybenzyl)oxy group. It is isolated from the flowers of Filipendula ulmaria.
Last Modified12 June 2020
Submittermwilliams
DownloadsMolfile
FormulaC13H18O7
Net Charge0
Average Mass286.280
Monoisotopic Mass286.10525
SMILESOC[C@H]1O[C@@H](OCc2ccccc2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-3-1-2-4-8(7)15/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
InChIKeyVBSPBYNZPRRGSB-UJPOAAIJSA-N
Species of MetaboliteComponentSourceComments
Filipendula ulmaria (ncbitaxon:57917) flower (BTO:0000469) Article (Book: Dictionary of Food Compounds with CD-ROM: Additives, Flavors, and Ingredients, Shmuel Yannai, CRC Press, 2003, pg 771, I-161.)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
β-isosalicin (CHEBI:153572) has role plant metabolite (CHEBI:76924)
β-isosalicin (CHEBI:153572) is a monosaccharide derivative (CHEBI:63367)
β-isosalicin (CHEBI:153572) is a phenols (CHEBI:33853)
β-isosalicin (CHEBI:153572) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
2-hydroxybenzyl β-D-glucopyranoside
Synonyms  Source
(2-hydroxyphenyl)methyl β-D-glucopyranosideIUPAC
2-(β-D-glucopyranosyloxymethyl)phenolChEBI
(2R,3R,4S,5S,6R)-2-[(2-hydroxybenzyl)oxy]-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triolChEBI
isosalicinChEBI
Manual XrefsDatabases
HMDB0034023HMDB
FDB012261FooDB
Registry NumbersSources
CAS:7724-09-6ChEBI
Citations