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CHEBI:87766 - 2-(D-glucosyloxy)benzoic acid

ChEBI IDCHEBI:87766
ChEBI Name2-(D-glucosyloxy)benzoic acid
Stars
ASCII Name2-(D-glucosyloxy)benzoic acid
DefinitionA monosaccharide derivative that is salicylic acid in which the phenolic hydrogen is replaced by a D-glucosyl residue.
Last Modified11 December 2019
Submittermwilliams
DownloadsMolfile
FormulaC13H16O8
Net Charge0
Average Mass300.263
Monoisotopic Mass300.08452
SMILESO=C(O)c1ccccc1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13?/m1/s1
InChIKeyTZPBMNKOLMSJPF-TWEVDUBQSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-(D-glucosyloxy)benzoic acid (CHEBI:87766) has functional parent salicylic acid (CHEBI:16914)
2-(D-glucosyloxy)benzoic acid (CHEBI:87766) is a D-glucoside (CHEBI:35436)
2-(D-glucosyloxy)benzoic acid (CHEBI:87766) is a benzoic acids (CHEBI:22723)
2-(D-glucosyloxy)benzoic acid (CHEBI:87766) is a monosaccharide derivative (CHEBI:63367)
Incoming Relation(s)
2-(β-D-glucopyranosyloxy)benzoic acid (CHEBI:145663) is a 2-(D-glucosyloxy)benzoic acid (CHEBI:87766)
IUPAC Names 
2-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
2-(D-glucopyranosyloxy)benzoic acid
Synonyms  Source
salicylic acid glucopyranosideChEBI
2-(D-glucopyranosyloxy)benzoic acidChEBI
salicylic acid glucosideChEBI
O-glucosylsalicylic acidChEBI
Registry NumbersSources
Reaxys:27062329Reaxys
CAS:10366-91-3ChemIDplus