4-(4-Hydroxyphenyl)-2-butanone glucoside (CHEBI:175166)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	4-(4-Hydroxyphenyl)-2-butanone glucoside

ChEBI ID	CHEBI:175166

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H22O7

Net Charge

Average Mass

326.345

Monoisotopic Mass

326.13655

InChI

InChI=1S/C16H22O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,12-17,19-21H,2-3,8H2,1H3

InChIKey

IDONYWHRKBUDOR-UHFFFAOYSA-N

SMILES

O1C(C(O)C(O)C(O)C1OC2=CC=C(CCC(=O)C)C=C2)CO

ChEBI Ontology
Outgoing	4-(4-Hydroxyphenyl)-2-butanone glucoside (CHEBI:175166) is a glycoside (CHEBI:24400)

IUPAC Name

4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one