Benzyl 2,6-dihydroxybenzoate 2-glucoside (CHEBI:176001)

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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	Benzyl 2,6-dihydroxybenzoate 2-glucoside

ChEBI ID	CHEBI:176001

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H22O9

Net Charge

Average Mass

406.387

Monoisotopic Mass

406.12638

InChI

InChI=1S/C20H22O9/c21-9-14-16(23)17(24)18(25)20(29-14)28-13-8-4-7-12(22)15(13)19(26)27-10-11-5-2-1-3-6-11/h1-8,14,16-18,20-25H,9-10H2

InChIKey

GTFARABJCNHOHO-UHFFFAOYSA-N

SMILES

O1C(C(O)C(O)C(O)C1OC=2C(=C(O)C=CC2)C(OCC3=CC=CC=C3)=O)CO

ChEBI Ontology
Outgoing	Benzyl 2,6-dihydroxybenzoate 2-glucoside (CHEBI:176001) is a glycoside (CHEBI:24400)

IUPAC Name

benzyl 2-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate