2-(beta-D-glucopyranosyloxy)benzoic acid (CHEBI:145663)

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ChEBI Name	2-(β-D-glucopyranosyloxy)benzoic acid

ChEBI ID	CHEBI:145663

ChEBI ASCII Name	2-(beta-D-glucopyranosyloxy)benzoic acid

Definition	A 2-(D-glucosyloxy)benzoic acid with β configuration at the anomeric centre.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C13H16O8

Net Charge

Average Mass

300.263

Monoisotopic Mass

300.08452

InChI

InChI=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

InChIKey

TZPBMNKOLMSJPF-BZNQNGANSA-N

SMILES

O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C(=CC=CC2)C(O)=O)CO

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology
Outgoing	2-(β-D-glucopyranosyloxy)benzoic acid (CHEBI:145663) has functional parent β-D-glucose (CHEBI:15903) 2-(β-D-glucopyranosyloxy)benzoic acid (CHEBI:145663) has role anti-inflammatory agent (CHEBI:67079) 2-(β-D-glucopyranosyloxy)benzoic acid (CHEBI:145663) has role plant metabolite (CHEBI:76924) 2-(β-D-glucopyranosyloxy)benzoic acid (CHEBI:145663) is a 2-(D-glucosyloxy)benzoic acid (CHEBI:87766) 2-(β-D-glucopyranosyloxy)benzoic acid (CHEBI:145663) is conjugate acid of 2-(β-D-glucopyranosyloxy)benzoate (CHEBI:145670)

Incoming	2-(β-D-glucopyranosyloxy)benzoate (CHEBI:145670) is conjugate base of 2-(β-D-glucopyranosyloxy)benzoic acid (CHEBI:145663)

IUPAC Name

2-(β-D-glucopyranosyloxy)benzoic acid

Synonyms	Sources
2-carboxyphenyl β-D-glucopyranoside	ChEBI
2-O-(β-D-glucosyl)salicylic acid	ChEBI
2-O-β-glucopyranosylsalicylic acid	ChEBI
2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}benzoic acid	IUPAC
salicylic acid 2-O-β-D-glucoside	ChEBI
salicylic acid β-D-glucoside	ChEBI

Registry Number	Type	Source
10367-11-0	CAS Registry Number	ChEBI

Last Modified

12 December 2019