3-(2-O-beta-D-glucosylphenyl)propanoic acid (CHEBI:149603)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-(2-O-beta-D-glucosylphenyl)propanoic acid

ChEBI ID	CHEBI:149603

Stars	This entity has been manually annotated by a third party.

Submitter	Mark Williams

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Formula

C15H20O8

Net Charge

Average Mass

328.317

Monoisotopic Mass

328.11582

InChI

InChI=1S/C15H20O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-4,10,12-16,19-21H,5-7H2,(H,17,18)/t10-,12-,13+,14-,15-/m1/s1

InChIKey

FXEOLMWSBWXMSF-TVKJYDDYSA-N

SMILES

C(CCC1=CC=CC=C1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)(=O)O

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

ChEBI Ontology
Outgoing	3-(2-O-beta-D-glucosylphenyl)propanoic acid (CHEBI:149603) is a β-D-glucoside (CHEBI:22798) 3-(2-O-beta-D-glucosylphenyl)propanoic acid (CHEBI:149603) is a aromatic carboxylic acid (CHEBI:33859)